3-(2-bicyclo[2.2.1]hept-5-enylidene)propanenitrile

C10H11N — CID 53425511

IUPAC3-(2-bicyclo[2.2.1]hept-5-enylidene)propanenitrile
SMILESN#CCC=C1CC2C=CC1C2
InChIInChI=1S/C10H11N/c11-5-1-2-9-6-8-3-4-10(9)7-8/h2-4,8,10H,1,6-7H2
InChIKeyKXWRGBCIWPQWPQ-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.42
Rot. Bonds1

About 3-(2-bicyclo[2.2.1]hept-5-enylidene)propanenitrile

3-(2-bicyclo[2.2.1]hept-5-enylidene)propanenitrile (PubChem CID 53425511) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]hept-5-enylidene)propanenitrile.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]hept-5-enylidene)propanenitrile
PubChem CID53425511
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name3-(2-bicyclo[2.2.1]hept-5-enylidene)propanenitrile
SMILESN#CCC=C1CC2C=CC1C2
InChIInChI=1S/C10H11N/c11-5-1-2-9-6-8-3-4-10(9)7-8/h2-4,8,10H,1,6-7H2
InChIKeyKXWRGBCIWPQWPQ-UHFFFAOYSA-N
XLogP2.42
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.42
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 3-(2-bicyclo[2.2.1]hept-5-enylidene)propanenitrile?
The IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enylidene)propanenitrile (CID 53425511) is 3-(2-bicyclo[2.2.1]hept-5-enylidene)propanenitrile.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]hept-5-enylidene)propanenitrile?
The canonical SMILES for 3-(2-bicyclo[2.2.1]hept-5-enylidene)propanenitrile is N#CCC=C1CC2C=CC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]hept-5-enylidene)propanenitrile?
The InChIKey is KXWRGBCIWPQWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c11-5-1-2-9-6-8-3-4-10(9)7-8/h2-4,8,10H,1,6-7H2.
What are the key properties of 3-(2-bicyclo[2.2.1]hept-5-enylidene)propanenitrile?
3-(2-bicyclo[2.2.1]hept-5-enylidene)propanenitrile has a molecular weight of 145.20 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]hept-5-enylidene)propanenitrile is sourced from PubChem (CID 53425511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).