2-[(2Z)-2-(cyanomethylidene)cyclopentyl]acetonitrile

C9H10N2 — CID 134869481

IUPAC2-[(2Z)-2-(cyanomethylidene)cyclopentyl]acetonitrile
SMILESN#C/C=C1/CCCC1CC#N
InChIInChI=1S/C9H10N2/c10-6-4-8-2-1-3-9(8)5-7-11/h4,9H,1-3,5H2/b8-4-
InChIKeyHUZDUZBMOWRQEN-YWEYNIOJSA-N
MW146.19 g/mol
LogP2.15
Rot. Bonds1

About 2-[(2Z)-2-(cyanomethylidene)cyclopentyl]acetonitrile

2-[(2Z)-2-(cyanomethylidene)cyclopentyl]acetonitrile (PubChem CID 134869481) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-[(2Z)-2-(cyanomethylidene)cyclopentyl]acetonitrile.

Molecular Properties

Compound Name2-[(2Z)-2-(cyanomethylidene)cyclopentyl]acetonitrile
PubChem CID134869481
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2-[(2Z)-2-(cyanomethylidene)cyclopentyl]acetonitrile
SMILESN#C/C=C1/CCCC1CC#N
InChIInChI=1S/C9H10N2/c10-6-4-8-2-1-3-9(8)5-7-11/h4,9H,1-3,5H2/b8-4-
InChIKeyHUZDUZBMOWRQEN-YWEYNIOJSA-N
XLogP2.15
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(2Z)-2-(cyanomethylidene)cyclopentyl]acetonitrile?
The IUPAC name of 2-[(2Z)-2-(cyanomethylidene)cyclopentyl]acetonitrile (CID 134869481) is 2-[(2Z)-2-(cyanomethylidene)cyclopentyl]acetonitrile.
What is the SMILES notation for 2-[(2Z)-2-(cyanomethylidene)cyclopentyl]acetonitrile?
The canonical SMILES for 2-[(2Z)-2-(cyanomethylidene)cyclopentyl]acetonitrile is N#C/C=C1/CCCC1CC#N.
What is the InChIKey of 2-[(2Z)-2-(cyanomethylidene)cyclopentyl]acetonitrile?
The InChIKey is HUZDUZBMOWRQEN-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H10N2/c10-6-4-8-2-1-3-9(8)5-7-11/h4,9H,1-3,5H2/b8-4-.
What are the key properties of 2-[(2Z)-2-(cyanomethylidene)cyclopentyl]acetonitrile?
2-[(2Z)-2-(cyanomethylidene)cyclopentyl]acetonitrile has a molecular weight of 146.19 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-(cyanomethylidene)cyclopentyl]acetonitrile is sourced from PubChem (CID 134869481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).