2-(2-ethylcyclopentylidene)acetonitrile

C9H13N — CID 104865537

IUPAC2-(2-ethylcyclopentylidene)acetonitrile
SMILESCCC1CCCC1=CC#N
InChIInChI=1S/C9H13N/c1-2-8-4-3-5-9(8)6-7-10/h6,8H,2-5H2,1H3
InChIKeyJRLDODJTVAYKCJ-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.65
Rot. Bonds1

About 2-(2-ethylcyclopentylidene)acetonitrile

2-(2-ethylcyclopentylidene)acetonitrile (PubChem CID 104865537) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 2-(2-ethylcyclopentylidene)acetonitrile.

Molecular Properties

Compound Name2-(2-ethylcyclopentylidene)acetonitrile
PubChem CID104865537
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name2-(2-ethylcyclopentylidene)acetonitrile
SMILESCCC1CCCC1=CC#N
InChIInChI=1S/C9H13N/c1-2-8-4-3-5-9(8)6-7-10/h6,8H,2-5H2,1H3
InChIKeyJRLDODJTVAYKCJ-UHFFFAOYSA-N
XLogP2.65
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylcyclopentylidene)acetonitrile?
The IUPAC name of 2-(2-ethylcyclopentylidene)acetonitrile (CID 104865537) is 2-(2-ethylcyclopentylidene)acetonitrile.
What is the SMILES notation for 2-(2-ethylcyclopentylidene)acetonitrile?
The canonical SMILES for 2-(2-ethylcyclopentylidene)acetonitrile is CCC1CCCC1=CC#N.
What is the InChIKey of 2-(2-ethylcyclopentylidene)acetonitrile?
The InChIKey is JRLDODJTVAYKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-2-8-4-3-5-9(8)6-7-10/h6,8H,2-5H2,1H3.
What are the key properties of 2-(2-ethylcyclopentylidene)acetonitrile?
2-(2-ethylcyclopentylidene)acetonitrile has a molecular weight of 135.21 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylcyclopentylidene)acetonitrile is sourced from PubChem (CID 104865537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).