6-ethylidenecyclohexa-2,4-diene-1-carbonitrile

C9H9N — CID 174674334

IUPAC6-ethylidenecyclohexa-2,4-diene-1-carbonitrile
SMILESCC=C1C=CC=CC1C#N
InChIInChI=1S/C9H9N/c1-2-8-5-3-4-6-9(8)7-10/h2-6,9H,1H3
InChIKeyLACCBZSWOLGEBI-UHFFFAOYSA-N
MW131.18 g/mol
LogP2.20
Rot. Bonds

About 6-ethylidenecyclohexa-2,4-diene-1-carbonitrile

6-ethylidenecyclohexa-2,4-diene-1-carbonitrile (PubChem CID 174674334) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 6-ethylidenecyclohexa-2,4-diene-1-carbonitrile.

Molecular Properties

Compound Name6-ethylidenecyclohexa-2,4-diene-1-carbonitrile
PubChem CID174674334
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name6-ethylidenecyclohexa-2,4-diene-1-carbonitrile
SMILESCC=C1C=CC=CC1C#N
InChIInChI=1S/C9H9N/c1-2-8-5-3-4-6-9(8)7-10/h2-6,9H,1H3
InChIKeyLACCBZSWOLGEBI-UHFFFAOYSA-N
XLogP2.20
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethylidenecyclohexa-2,4-diene-1-carbonitrile?
The IUPAC name of 6-ethylidenecyclohexa-2,4-diene-1-carbonitrile (CID 174674334) is 6-ethylidenecyclohexa-2,4-diene-1-carbonitrile.
What is the SMILES notation for 6-ethylidenecyclohexa-2,4-diene-1-carbonitrile?
The canonical SMILES for 6-ethylidenecyclohexa-2,4-diene-1-carbonitrile is CC=C1C=CC=CC1C#N.
What is the InChIKey of 6-ethylidenecyclohexa-2,4-diene-1-carbonitrile?
The InChIKey is LACCBZSWOLGEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-2-8-5-3-4-6-9(8)7-10/h2-6,9H,1H3.
What are the key properties of 6-ethylidenecyclohexa-2,4-diene-1-carbonitrile?
6-ethylidenecyclohexa-2,4-diene-1-carbonitrile has a molecular weight of 131.18 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylidenecyclohexa-2,4-diene-1-carbonitrile is sourced from PubChem (CID 174674334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).