2-(4-ethylcyclopent-2-en-1-yl)acetonitrile

C9H13N — CID 59796289

IUPAC2-(4-ethylcyclopent-2-en-1-yl)acetonitrile
SMILESCCC1C=CC(CC#N)C1
InChIInChI=1S/C9H13N/c1-2-8-3-4-9(7-8)5-6-10/h3-4,8-9H,2,5,7H2,1H3
InChIKeyFIBOCYKPGWGJCA-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.50
Rot. Bonds2

About 2-(4-ethylcyclopent-2-en-1-yl)acetonitrile

2-(4-ethylcyclopent-2-en-1-yl)acetonitrile (PubChem CID 59796289) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 2-(4-ethylcyclopent-2-en-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-ethylcyclopent-2-en-1-yl)acetonitrile
PubChem CID59796289
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name2-(4-ethylcyclopent-2-en-1-yl)acetonitrile
SMILESCCC1C=CC(CC#N)C1
InChIInChI=1S/C9H13N/c1-2-8-3-4-9(7-8)5-6-10/h3-4,8-9H,2,5,7H2,1H3
InChIKeyFIBOCYKPGWGJCA-UHFFFAOYSA-N
XLogP2.50
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.50
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-(4-ethylcyclopent-2-en-1-yl)acetonitrile?
The IUPAC name of 2-(4-ethylcyclopent-2-en-1-yl)acetonitrile (CID 59796289) is 2-(4-ethylcyclopent-2-en-1-yl)acetonitrile.
What is the SMILES notation for 2-(4-ethylcyclopent-2-en-1-yl)acetonitrile?
The canonical SMILES for 2-(4-ethylcyclopent-2-en-1-yl)acetonitrile is CCC1C=CC(CC#N)C1.
What is the InChIKey of 2-(4-ethylcyclopent-2-en-1-yl)acetonitrile?
The InChIKey is FIBOCYKPGWGJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-2-8-3-4-9(7-8)5-6-10/h3-4,8-9H,2,5,7H2,1H3.
What are the key properties of 2-(4-ethylcyclopent-2-en-1-yl)acetonitrile?
2-(4-ethylcyclopent-2-en-1-yl)acetonitrile has a molecular weight of 135.21 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclopent-2-en-1-yl)acetonitrile is sourced from PubChem (CID 59796289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).