1-cyclopenta-2,4-dien-1-yl-2-methylprop-2-en-1-one

C9H10O — CID 87460656

IUPAC1-cyclopenta-2,4-dien-1-yl-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)C1C=CC=C1
InChIInChI=1S/C9H10O/c1-7(2)9(10)8-5-3-4-6-8/h3-6,8H,1H2,2H3
InChIKeyRYPSQGKYWCVGMM-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.87
Rot. Bonds2

About 1-cyclopenta-2,4-dien-1-yl-2-methylprop-2-en-1-one

1-cyclopenta-2,4-dien-1-yl-2-methylprop-2-en-1-one (PubChem CID 87460656) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-yl-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-yl-2-methylprop-2-en-1-one
PubChem CID87460656
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name1-cyclopenta-2,4-dien-1-yl-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)C1C=CC=C1
InChIInChI=1S/C9H10O/c1-7(2)9(10)8-5-3-4-6-8/h3-6,8H,1H2,2H3
InChIKeyRYPSQGKYWCVGMM-UHFFFAOYSA-N
XLogP1.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.87
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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Related Compounds

1,2-di(cyclopenta-2,4-dien-1-yl)ethane-1,2-dione
CID 102577689
bis(1-cyclopenta-2,4-dien-1-ylethanone);iron
CID 176507815
1-cyclopenta-2,4-dien-1-yl-3-methylbut-2-en-1-one
CID 15771385
1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one
CID 15784096
1-[(1S,6R)-9-bicyclo[4.2.1]nona-2,4,7-trienyl]ethanone
CID 15577447
cyclohepta-2,4,6-triene-1-carboxylic acid
CID 10844436
2-methyl-1-[3-(2-methylprop-2-enoyl)cyclopentyl]prop-2-en-1-one
CID 163562388
[6-(hydroxymethyl)-6-methylcyclohexa-2,4-dien-1-yl]methanol;bis(2-methylprop-2-enoic acid)
CID 175550836
1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone
CID 130027554
cyclopenta-2,4-diene-1-carboxylic acid;iron;hydrate
CID 175912306
acetic acid;cyclohexa-3,5-diene-1,2-diol
CID 71339851
1-[(1R,4S)-4-acetylcyclobut-2-en-1-yl]ethanone
CID 45085524

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-yl-2-methylprop-2-en-1-one?
The IUPAC name of 1-cyclopenta-2,4-dien-1-yl-2-methylprop-2-en-1-one (CID 87460656) is 1-cyclopenta-2,4-dien-1-yl-2-methylprop-2-en-1-one.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-yl-2-methylprop-2-en-1-one?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-yl-2-methylprop-2-en-1-one is C=C(C)C(=O)C1C=CC=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-yl-2-methylprop-2-en-1-one?
The InChIKey is RYPSQGKYWCVGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-7(2)9(10)8-5-3-4-6-8/h3-6,8H,1H2,2H3.
What are the key properties of 1-cyclopenta-2,4-dien-1-yl-2-methylprop-2-en-1-one?
1-cyclopenta-2,4-dien-1-yl-2-methylprop-2-en-1-one has a molecular weight of 134.18 g/mol, XLogP of 1.87, 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-yl-2-methylprop-2-en-1-one is sourced from PubChem (CID 87460656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).