1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one

C8H8O — CID 15784096

IUPAC1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one
SMILESC=CC(=O)C1C=CC=C1
InChIInChI=1S/C8H8O/c1-2-8(9)7-5-3-4-6-7/h2-7H,1H2
InChIKeyGLMOZBZPSXUNGU-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.48
Rot. Bonds2

About 1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one

1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one (PubChem CID 15784096) has the molecular formula C8H8O and a molecular weight of 120.15 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one
PubChem CID15784096
Molecular FormulaC8H8O
Molecular Weight120.15 g/mol
Exact Mass120.06
IUPAC Name1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one
SMILESC=CC(=O)C1C=CC=C1
InChIInChI=1S/C8H8O/c1-2-8(9)7-5-3-4-6-7/h2-7H,1H2
InChIKeyGLMOZBZPSXUNGU-UHFFFAOYSA-N
XLogP1.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one?
The IUPAC name of 1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one (CID 15784096) is 1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one is C=CC(=O)C1C=CC=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one?
The InChIKey is GLMOZBZPSXUNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O/c1-2-8(9)7-5-3-4-6-7/h2-7H,1H2.
What are the key properties of 1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one?
1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one has a molecular weight of 120.15 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one is sourced from PubChem (CID 15784096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).