1-cyclohepta-1,3,5-trien-1-ylethanone

C9H10O — CID 11137214

IUPAC1-cyclohepta-1,3,5-trien-1-ylethanone
SMILESCC(=O)C1=CC=CC=CC1
InChIInChI=1S/C9H10O/c1-8(10)9-6-4-2-3-5-7-9/h2-6H,7H2,1H3
InChIKeyOLJLUZVUGJTBOP-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.02
Rot. Bonds1

About 1-cyclohepta-1,3,5-trien-1-ylethanone

1-cyclohepta-1,3,5-trien-1-ylethanone (PubChem CID 11137214) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 1-cyclohepta-1,3,5-trien-1-ylethanone.

Molecular Properties

Compound Name1-cyclohepta-1,3,5-trien-1-ylethanone
PubChem CID11137214
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name1-cyclohepta-1,3,5-trien-1-ylethanone
SMILESCC(=O)C1=CC=CC=CC1
InChIInChI=1S/C9H10O/c1-8(10)9-6-4-2-3-5-7-9/h2-6H,7H2,1H3
InChIKeyOLJLUZVUGJTBOP-UHFFFAOYSA-N
XLogP2.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohepta-1,3,5-trien-1-ylethanone?
The IUPAC name of 1-cyclohepta-1,3,5-trien-1-ylethanone (CID 11137214) is 1-cyclohepta-1,3,5-trien-1-ylethanone.
What is the SMILES notation for 1-cyclohepta-1,3,5-trien-1-ylethanone?
The canonical SMILES for 1-cyclohepta-1,3,5-trien-1-ylethanone is CC(=O)C1=CC=CC=CC1.
What is the InChIKey of 1-cyclohepta-1,3,5-trien-1-ylethanone?
The InChIKey is OLJLUZVUGJTBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-8(10)9-6-4-2-3-5-7-9/h2-6H,7H2,1H3.
What are the key properties of 1-cyclohepta-1,3,5-trien-1-ylethanone?
1-cyclohepta-1,3,5-trien-1-ylethanone has a molecular weight of 134.18 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohepta-1,3,5-trien-1-ylethanone is sourced from PubChem (CID 11137214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).