(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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Related Compounds

6-methylidenecyclohexa-1,3-diene-1-carbaldehyde
CID 22726424
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[6-(oxomethylidene)cyclohexa-1,3-dien-1-yl]borinic acid
CID 123515064
nickel;1-pent-1-en-3-ylcyclopenta-1,3-diene
CID 173188545
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;nickel(2+)
CID 21161619
N-[2-(cyclopenta-1,3-dien-1-ylamino)ethyl]prop-2-enamide
CID 102339200
1-ethenylcyclohexa-1,2,4-triene
CID 173485639
acetaldehyde;ethane;1-methylcyclopenta-1,3-diene
CID 91150107
N-[cyclopenta-1,3-dien-1-yl(dimethylamino)phosphanyl]-N-methylmethanamine
CID 12996153
CID 173256635
CID 173256635
dicyclopenta-1,3-dien-1-yl (E)-but-2-enedioate
CID 18347223
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;methanetriol
CID 174485251
6-(ethylaminomethylidene)cyclohexa-1,3-diene-1-carbaldehyde
CID 173232146

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).