7-azabicyclo[4.1.0]heptane-1-carbonitrile

C7H10N2 — CID 55299869

IUPAC7-azabicyclo[4.1.0]heptane-1-carbonitrile
SMILESN#CC12CCCCC1N2
InChIInChI=1S/C7H10N2/c8-5-7-4-2-1-3-6(7)9-7/h6,9H,1-4H2
InChIKeyWFMBIDCUPBYHMX-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.79
Rot. Bonds

About 7-azabicyclo[4.1.0]heptane-1-carbonitrile

7-azabicyclo[4.1.0]heptane-1-carbonitrile (PubChem CID 55299869) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 7-azabicyclo[4.1.0]heptane-1-carbonitrile.

Molecular Properties

Compound Name7-azabicyclo[4.1.0]heptane-1-carbonitrile
PubChem CID55299869
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name7-azabicyclo[4.1.0]heptane-1-carbonitrile
SMILESN#CC12CCCCC1N2
InChIInChI=1S/C7H10N2/c8-5-7-4-2-1-3-6(7)9-7/h6,9H,1-4H2
InChIKeyWFMBIDCUPBYHMX-UHFFFAOYSA-N
XLogP0.79
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[4.1.0]heptane-1-carbonitrile?
The IUPAC name of 7-azabicyclo[4.1.0]heptane-1-carbonitrile (CID 55299869) is 7-azabicyclo[4.1.0]heptane-1-carbonitrile.
What is the SMILES notation for 7-azabicyclo[4.1.0]heptane-1-carbonitrile?
The canonical SMILES for 7-azabicyclo[4.1.0]heptane-1-carbonitrile is N#CC12CCCCC1N2.
What is the InChIKey of 7-azabicyclo[4.1.0]heptane-1-carbonitrile?
The InChIKey is WFMBIDCUPBYHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c8-5-7-4-2-1-3-6(7)9-7/h6,9H,1-4H2.
What are the key properties of 7-azabicyclo[4.1.0]heptane-1-carbonitrile?
7-azabicyclo[4.1.0]heptane-1-carbonitrile has a molecular weight of 122.17 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[4.1.0]heptane-1-carbonitrile is sourced from PubChem (CID 55299869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).