(2-ethenylcyclohexa-2,4-dien-1-ylidene)methanone

C9H8O — CID 54422716

IUPAC(2-ethenylcyclohexa-2,4-dien-1-ylidene)methanone
SMILESC=CC1=CC=CCC1=C=O
InChIInChI=1S/C9H8O/c1-2-8-5-3-4-6-9(8)7-10/h2-5H,1,6H2
InChIKeyFVWPOCINJPNHNX-UHFFFAOYSA-N
MW132.16 g/mol
LogP1.82
Rot. Bonds1

About (2-ethenylcyclohexa-2,4-dien-1-ylidene)methanone

(2-ethenylcyclohexa-2,4-dien-1-ylidene)methanone (PubChem CID 54422716) has the molecular formula C9H8O and a molecular weight of 132.16 g/mol. Its IUPAC name is (2-ethenylcyclohexa-2,4-dien-1-ylidene)methanone.

Molecular Properties

Compound Name(2-ethenylcyclohexa-2,4-dien-1-ylidene)methanone
PubChem CID54422716
Molecular FormulaC9H8O
Molecular Weight132.16 g/mol
Exact Mass132.06
IUPAC Name(2-ethenylcyclohexa-2,4-dien-1-ylidene)methanone
SMILESC=CC1=CC=CCC1=C=O
InChIInChI=1S/C9H8O/c1-2-8-5-3-4-6-9(8)7-10/h2-5H,1,6H2
InChIKeyFVWPOCINJPNHNX-UHFFFAOYSA-N
XLogP1.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-ethenylcyclohexa-2,4-dien-1-ylidene)methanone?
The IUPAC name of (2-ethenylcyclohexa-2,4-dien-1-ylidene)methanone (CID 54422716) is (2-ethenylcyclohexa-2,4-dien-1-ylidene)methanone.
What is the SMILES notation for (2-ethenylcyclohexa-2,4-dien-1-ylidene)methanone?
The canonical SMILES for (2-ethenylcyclohexa-2,4-dien-1-ylidene)methanone is C=CC1=CC=CCC1=C=O.
What is the InChIKey of (2-ethenylcyclohexa-2,4-dien-1-ylidene)methanone?
The InChIKey is FVWPOCINJPNHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O/c1-2-8-5-3-4-6-9(8)7-10/h2-5H,1,6H2.
What are the key properties of (2-ethenylcyclohexa-2,4-dien-1-ylidene)methanone?
(2-ethenylcyclohexa-2,4-dien-1-ylidene)methanone has a molecular weight of 132.16 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenylcyclohexa-2,4-dien-1-ylidene)methanone is sourced from PubChem (CID 54422716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).