(6Z)-1,2,3,4,5,8,9,10-octahydroazecine-10-carbonitrile

C10H16N2 — CID 177385801

IUPAC(6Z)-1,2,3,4,5,8,9,10-octahydroazecine-10-carbonitrile
SMILESN#CC1CC/C=C\CCCCN1
InChIInChI=1S/C10H16N2/c11-9-10-7-5-3-1-2-4-6-8-12-10/h1,3,10,12H,2,4-8H2/b3-1-
InChIKeyCCTBOJFOGYCLJT-IWQZZHSRSA-N
MW164.25 g/mol
LogP1.99
Rot. Bonds

About (6Z)-1,2,3,4,5,8,9,10-octahydroazecine-10-carbonitrile

(6Z)-1,2,3,4,5,8,9,10-octahydroazecine-10-carbonitrile (PubChem CID 177385801) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (6Z)-1,2,3,4,5,8,9,10-octahydroazecine-10-carbonitrile.

Molecular Properties

Compound Name(6Z)-1,2,3,4,5,8,9,10-octahydroazecine-10-carbonitrile
PubChem CID177385801
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(6Z)-1,2,3,4,5,8,9,10-octahydroazecine-10-carbonitrile
SMILESN#CC1CC/C=C\CCCCN1
InChIInChI=1S/C10H16N2/c11-9-10-7-5-3-1-2-4-6-8-12-10/h1,3,10,12H,2,4-8H2/b3-1-
InChIKeyCCTBOJFOGYCLJT-IWQZZHSRSA-N
XLogP1.99
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z)-1,2,3,4,5,8,9,10-octahydroazecine-10-carbonitrile?
The IUPAC name of (6Z)-1,2,3,4,5,8,9,10-octahydroazecine-10-carbonitrile (CID 177385801) is (6Z)-1,2,3,4,5,8,9,10-octahydroazecine-10-carbonitrile.
What is the SMILES notation for (6Z)-1,2,3,4,5,8,9,10-octahydroazecine-10-carbonitrile?
The canonical SMILES for (6Z)-1,2,3,4,5,8,9,10-octahydroazecine-10-carbonitrile is N#CC1CC/C=C\CCCCN1.
What is the InChIKey of (6Z)-1,2,3,4,5,8,9,10-octahydroazecine-10-carbonitrile?
The InChIKey is CCTBOJFOGYCLJT-IWQZZHSRSA-N. The full InChI is InChI=1S/C10H16N2/c11-9-10-7-5-3-1-2-4-6-8-12-10/h1,3,10,12H,2,4-8H2/b3-1-.
What are the key properties of (6Z)-1,2,3,4,5,8,9,10-octahydroazecine-10-carbonitrile?
(6Z)-1,2,3,4,5,8,9,10-octahydroazecine-10-carbonitrile has a molecular weight of 164.25 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-1,2,3,4,5,8,9,10-octahydroazecine-10-carbonitrile is sourced from PubChem (CID 177385801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).