2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-2-carbonitrile

C10H16N2 — CID 12577375

IUPAC2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-2-carbonitrile
SMILESN#CC1CCN2CCCCC2C1
InChIInChI=1S/C10H16N2/c11-8-9-4-6-12-5-2-1-3-10(12)7-9/h9-10H,1-7H2
InChIKeyWCMCVYJIALWOCA-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.77
Rot. Bonds

About 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-2-carbonitrile

2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-2-carbonitrile (PubChem CID 12577375) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-2-carbonitrile.

Molecular Properties

Compound Name2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-2-carbonitrile
PubChem CID12577375
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-2-carbonitrile
SMILESN#CC1CCN2CCCCC2C1
InChIInChI=1S/C10H16N2/c11-8-9-4-6-12-5-2-1-3-10(12)7-9/h9-10H,1-7H2
InChIKeyWCMCVYJIALWOCA-UHFFFAOYSA-N
XLogP1.77
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-2-carbonitrile?
The IUPAC name of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-2-carbonitrile (CID 12577375) is 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-2-carbonitrile.
What is the SMILES notation for 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-2-carbonitrile?
The canonical SMILES for 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-2-carbonitrile is N#CC1CCN2CCCCC2C1.
What is the InChIKey of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-2-carbonitrile?
The InChIKey is WCMCVYJIALWOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c11-8-9-4-6-12-5-2-1-3-10(12)7-9/h9-10H,1-7H2.
What are the key properties of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-2-carbonitrile?
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-2-carbonitrile has a molecular weight of 164.25 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-2-carbonitrile is sourced from PubChem (CID 12577375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).