2-azabicyclo[4.1.0]heptane-5-carbonitrile

C7H10N2 — CID 164886271

IUPAC2-azabicyclo[4.1.0]heptane-5-carbonitrile
SMILESN#CC1CCNC2CC12
InChIInChI=1S/C7H10N2/c8-4-5-1-2-9-7-3-6(5)7/h5-7,9H,1-3H2
InChIKeyYBQQFIRKRWVYRB-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.51
Rot. Bonds

About 2-azabicyclo[4.1.0]heptane-5-carbonitrile

2-azabicyclo[4.1.0]heptane-5-carbonitrile (PubChem CID 164886271) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 2-azabicyclo[4.1.0]heptane-5-carbonitrile.

Molecular Properties

Compound Name2-azabicyclo[4.1.0]heptane-5-carbonitrile
PubChem CID164886271
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name2-azabicyclo[4.1.0]heptane-5-carbonitrile
SMILESN#CC1CCNC2CC12
InChIInChI=1S/C7H10N2/c8-4-5-1-2-9-7-3-6(5)7/h5-7,9H,1-3H2
InChIKeyYBQQFIRKRWVYRB-UHFFFAOYSA-N
XLogP0.51
TPSA35.82 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 ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[4.1.0]heptane-5-carbonitrile?
The IUPAC name of 2-azabicyclo[4.1.0]heptane-5-carbonitrile (CID 164886271) is 2-azabicyclo[4.1.0]heptane-5-carbonitrile.
What is the SMILES notation for 2-azabicyclo[4.1.0]heptane-5-carbonitrile?
The canonical SMILES for 2-azabicyclo[4.1.0]heptane-5-carbonitrile is N#CC1CCNC2CC12.
What is the InChIKey of 2-azabicyclo[4.1.0]heptane-5-carbonitrile?
The InChIKey is YBQQFIRKRWVYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c8-4-5-1-2-9-7-3-6(5)7/h5-7,9H,1-3H2.
What are the key properties of 2-azabicyclo[4.1.0]heptane-5-carbonitrile?
2-azabicyclo[4.1.0]heptane-5-carbonitrile has a molecular weight of 122.17 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[4.1.0]heptane-5-carbonitrile is sourced from PubChem (CID 164886271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).