2-(9-azabicyclo[6.2.0]decan-9-yl)acetonitrile

C11H18N2 — CID 126989355

IUPAC2-(9-azabicyclo[6.2.0]decan-9-yl)acetonitrile
SMILESN#CCN1CC2CCCCCCC21
InChIInChI=1S/C11H18N2/c12-7-8-13-9-10-5-3-1-2-4-6-11(10)13/h10-11H,1-6,8-9H2
InChIKeyJJAYDWWLQAEFNM-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.16
Rot. Bonds1

About 2-(9-azabicyclo[6.2.0]decan-9-yl)acetonitrile

2-(9-azabicyclo[6.2.0]decan-9-yl)acetonitrile (PubChem CID 126989355) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-(9-azabicyclo[6.2.0]decan-9-yl)acetonitrile.

Molecular Properties

Compound Name2-(9-azabicyclo[6.2.0]decan-9-yl)acetonitrile
PubChem CID126989355
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-(9-azabicyclo[6.2.0]decan-9-yl)acetonitrile
SMILESN#CCN1CC2CCCCCCC21
InChIInChI=1S/C11H18N2/c12-7-8-13-9-10-5-3-1-2-4-6-11(10)13/h10-11H,1-6,8-9H2
InChIKeyJJAYDWWLQAEFNM-UHFFFAOYSA-N
XLogP2.16
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(9-azabicyclo[6.2.0]decan-9-yl)acetonitrile?
The IUPAC name of 2-(9-azabicyclo[6.2.0]decan-9-yl)acetonitrile (CID 126989355) is 2-(9-azabicyclo[6.2.0]decan-9-yl)acetonitrile.
What is the SMILES notation for 2-(9-azabicyclo[6.2.0]decan-9-yl)acetonitrile?
The canonical SMILES for 2-(9-azabicyclo[6.2.0]decan-9-yl)acetonitrile is N#CCN1CC2CCCCCCC21.
What is the InChIKey of 2-(9-azabicyclo[6.2.0]decan-9-yl)acetonitrile?
The InChIKey is JJAYDWWLQAEFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c12-7-8-13-9-10-5-3-1-2-4-6-11(10)13/h10-11H,1-6,8-9H2.
What are the key properties of 2-(9-azabicyclo[6.2.0]decan-9-yl)acetonitrile?
2-(9-azabicyclo[6.2.0]decan-9-yl)acetonitrile has a molecular weight of 178.28 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-azabicyclo[6.2.0]decan-9-yl)acetonitrile is sourced from PubChem (CID 126989355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).