1-cyclopenta-1,4-dien-1-ylethanone

C7H8O — CID 12542319

IUPAC1-cyclopenta-1,4-dien-1-ylethanone
SMILESCC(=O)C1=CCC=C1
InChIInChI=1S/C7H8O/c1-6(8)7-4-2-3-5-7/h2,4-5H,3H2,1H3
InChIKeyDTWWENFIJOCCND-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.46
Rot. Bonds1

About 1-cyclopenta-1,4-dien-1-ylethanone

1-cyclopenta-1,4-dien-1-ylethanone (PubChem CID 12542319) has the molecular formula C7H8O and a molecular weight of 108.14 g/mol. Its IUPAC name is 1-cyclopenta-1,4-dien-1-ylethanone.

Molecular Properties

Compound Name1-cyclopenta-1,4-dien-1-ylethanone
PubChem CID12542319
Molecular FormulaC7H8O
Molecular Weight108.14 g/mol
Exact Mass108.06
IUPAC Name1-cyclopenta-1,4-dien-1-ylethanone
SMILESCC(=O)C1=CCC=C1
InChIInChI=1S/C7H8O/c1-6(8)7-4-2-3-5-7/h2,4-5H,3H2,1H3
InChIKeyDTWWENFIJOCCND-UHFFFAOYSA-N
XLogP1.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,4-dien-1-ylethanone?
The IUPAC name of 1-cyclopenta-1,4-dien-1-ylethanone (CID 12542319) is 1-cyclopenta-1,4-dien-1-ylethanone.
What is the SMILES notation for 1-cyclopenta-1,4-dien-1-ylethanone?
The canonical SMILES for 1-cyclopenta-1,4-dien-1-ylethanone is CC(=O)C1=CCC=C1.
What is the InChIKey of 1-cyclopenta-1,4-dien-1-ylethanone?
The InChIKey is DTWWENFIJOCCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O/c1-6(8)7-4-2-3-5-7/h2,4-5H,3H2,1H3.
What are the key properties of 1-cyclopenta-1,4-dien-1-ylethanone?
1-cyclopenta-1,4-dien-1-ylethanone has a molecular weight of 108.14 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,4-dien-1-ylethanone is sourced from PubChem (CID 12542319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).