Chemical Properties of 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(3-butenyl)-1,2,3,4,5,6-hexahydro-, (1R)- (CAS 529-78-2)

InChI

InChI=1S/C15H20N2O/c1-2-3-7-16-9-12-8-13(11-16)14-5-4-6-15(18)17(14)10-12/h2,4-6,12-13H,1,3,7-11H2

InChI Key

ZVTFRRVBMAUIQW-UHFFFAOYSA-N

Formula

C15H20N2O

SMILES

C=CCCN1CC2CC(C1)c1cccc(=O)n1C2

Molecular Weight¹

244.33

CAS

529-78-2

Other Names

• Rhombifoline
• Rhombifolin
• 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(3-butenyl)-1,2,3,4,5,6-hexahydro-, (1R-cis)-

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-2.40		Crippen Calculated Property
logPoct/wat	1.844		Crippen Calculated Property
McVol	198.260	ml/mol	McGowan Calculated Property
Inp	[2150.00; 2169.00]
Inp	2155.00		NIST
Inp	Outlier 2169.00		NIST
Inp	2155.00		NIST
Inp	2160.00		NIST
Inp	2155.00		NIST
Inp	2150.00		NIST
Inp	2155.00		NIST
Inp	2155.00		NIST
Inp	2160.00		NIST
Inp	2155.00		NIST
Inp	2155.00		NIST
Inp	2155.00		NIST
Inp	2155.00		NIST
Inp	2155.00		NIST
Inp	2155.00		NIST
Inp	2155.00		NIST
Inp	2150.00		NIST

Similar Compounds

Find more compounds similar to 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(3-butenyl)-1,2,3,4,5,6-hexahydro-, (1R)-.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.