3-methylspiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carbonitrile

C10H14N2 — CID 105431961

IUPAC3-methylspiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carbonitrile
SMILESCN1C(C#N)C2CC2CC12CC2
InChIInChI=1S/C10H14N2/c1-12-9(6-11)8-4-7(8)5-10(12)2-3-10/h7-9H,2-5H2,1H3
InChIKeyNAYAYTJQKSFUCX-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.38
Rot. Bonds

About 3-methylspiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carbonitrile

3-methylspiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carbonitrile (PubChem CID 105431961) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 3-methylspiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carbonitrile.

Molecular Properties

Compound Name3-methylspiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carbonitrile
PubChem CID105431961
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name3-methylspiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carbonitrile
SMILESCN1C(C#N)C2CC2CC12CC2
InChIInChI=1S/C10H14N2/c1-12-9(6-11)8-4-7(8)5-10(12)2-3-10/h7-9H,2-5H2,1H3
InChIKeyNAYAYTJQKSFUCX-UHFFFAOYSA-N
XLogP1.38
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylspiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carbonitrile?
The IUPAC name of 3-methylspiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carbonitrile (CID 105431961) is 3-methylspiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carbonitrile.
What is the SMILES notation for 3-methylspiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carbonitrile?
The canonical SMILES for 3-methylspiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carbonitrile is CN1C(C#N)C2CC2CC12CC2.
What is the InChIKey of 3-methylspiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carbonitrile?
The InChIKey is NAYAYTJQKSFUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-12-9(6-11)8-4-7(8)5-10(12)2-3-10/h7-9H,2-5H2,1H3.
What are the key properties of 3-methylspiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carbonitrile?
3-methylspiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carbonitrile has a molecular weight of 162.24 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylspiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carbonitrile is sourced from PubChem (CID 105431961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).