2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetonitrile

C10H13N — CID 22336667

IUPAC2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetonitrile
SMILESCC1C2C=CC(C2)C1CC#N
InChIInChI=1S/C10H13N/c1-7-8-2-3-9(6-8)10(7)4-5-11/h2-3,7-10H,4,6H2,1H3
InChIKeyDQLOKZJCPWBBLM-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.36
Rot. Bonds1

About 2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetonitrile

2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetonitrile (PubChem CID 22336667) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetonitrile.

Molecular Properties

Compound Name2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetonitrile
PubChem CID22336667
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetonitrile
SMILESCC1C2C=CC(C2)C1CC#N
InChIInChI=1S/C10H13N/c1-7-8-2-3-9(6-8)10(7)4-5-11/h2-3,7-10H,4,6H2,1H3
InChIKeyDQLOKZJCPWBBLM-UHFFFAOYSA-N
XLogP2.36
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetonitrile?
The IUPAC name of 2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetonitrile (CID 22336667) is 2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetonitrile.
What is the SMILES notation for 2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetonitrile?
The canonical SMILES for 2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetonitrile is CC1C2C=CC(C2)C1CC#N.
What is the InChIKey of 2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetonitrile?
The InChIKey is DQLOKZJCPWBBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-7-8-2-3-9(6-8)10(7)4-5-11/h2-3,7-10H,4,6H2,1H3.
What are the key properties of 2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetonitrile?
2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetonitrile has a molecular weight of 147.22 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetonitrile is sourced from PubChem (CID 22336667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).