2-cyclopenta-2,4-dien-1-ylacetonitrile

C7H7N — CID 12663811

IUPAC2-cyclopenta-2,4-dien-1-ylacetonitrile
SMILESN#CCC1C=CC=C1
InChIInChI=1S/C7H7N/c8-6-5-7-3-1-2-4-7/h1-4,7H,5H2
InChIKeyGVWGKMHBQQSYOS-UHFFFAOYSA-N
MW105.14 g/mol
LogP1.64
Rot. Bonds1

About 2-cyclopenta-2,4-dien-1-ylacetonitrile

2-cyclopenta-2,4-dien-1-ylacetonitrile (PubChem CID 12663811) has the molecular formula C7H7N and a molecular weight of 105.14 g/mol. Its IUPAC name is 2-cyclopenta-2,4-dien-1-ylacetonitrile.

Molecular Properties

Compound Name2-cyclopenta-2,4-dien-1-ylacetonitrile
PubChem CID12663811
Molecular FormulaC7H7N
Molecular Weight105.14 g/mol
Exact Mass105.06
IUPAC Name2-cyclopenta-2,4-dien-1-ylacetonitrile
SMILESN#CCC1C=CC=C1
InChIInChI=1S/C7H7N/c8-6-5-7-3-1-2-4-7/h1-4,7H,5H2
InChIKeyGVWGKMHBQQSYOS-UHFFFAOYSA-N
XLogP1.64
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-2,4-dien-1-ylacetonitrile?
The IUPAC name of 2-cyclopenta-2,4-dien-1-ylacetonitrile (CID 12663811) is 2-cyclopenta-2,4-dien-1-ylacetonitrile.
What is the SMILES notation for 2-cyclopenta-2,4-dien-1-ylacetonitrile?
The canonical SMILES for 2-cyclopenta-2,4-dien-1-ylacetonitrile is N#CCC1C=CC=C1.
What is the InChIKey of 2-cyclopenta-2,4-dien-1-ylacetonitrile?
The InChIKey is GVWGKMHBQQSYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N/c8-6-5-7-3-1-2-4-7/h1-4,7H,5H2.
What are the key properties of 2-cyclopenta-2,4-dien-1-ylacetonitrile?
2-cyclopenta-2,4-dien-1-ylacetonitrile has a molecular weight of 105.14 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-2,4-dien-1-ylacetonitrile is sourced from PubChem (CID 12663811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).