1-cyclohexa-1,3-dien-1-ylethanone

C8H10O — CID 10964483

IUPAC1-cyclohexa-1,3-dien-1-ylethanone
SMILESCC(=O)C1=CC=CCC1
InChIInChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-3,5H,4,6H2,1H3
InChIKeyXFQNQOLPNYVPDT-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.85
Rot. Bonds1

About 1-cyclohexa-1,3-dien-1-ylethanone

1-cyclohexa-1,3-dien-1-ylethanone (PubChem CID 10964483) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-ylethanone.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-ylethanone
PubChem CID10964483
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name1-cyclohexa-1,3-dien-1-ylethanone
SMILESCC(=O)C1=CC=CCC1
InChIInChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-3,5H,4,6H2,1H3
InChIKeyXFQNQOLPNYVPDT-UHFFFAOYSA-N
XLogP1.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-ylethanone?
The IUPAC name of 1-cyclohexa-1,3-dien-1-ylethanone (CID 10964483) is 1-cyclohexa-1,3-dien-1-ylethanone.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-ylethanone?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-ylethanone is CC(=O)C1=CC=CCC1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-ylethanone?
The InChIKey is XFQNQOLPNYVPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-3,5H,4,6H2,1H3.
What are the key properties of 1-cyclohexa-1,3-dien-1-ylethanone?
1-cyclohexa-1,3-dien-1-ylethanone has a molecular weight of 122.17 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-ylethanone is sourced from PubChem (CID 10964483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).