1-(2-methylcyclopenta-2,4-dien-1-yl)prop-2-en-1-one

C9H10O — CID 22003282

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

About 1-(2-methylcyclopenta-2,4-dien-1-yl)prop-2-en-1-one

1-(2-methylcyclopenta-2,4-dien-1-yl)prop-2-en-1-one (PubChem CID 22003282) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 1-(2-methylcyclopenta-2,4-dien-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2-methylcyclopenta-2,4-dien-1-yl)prop-2-en-1-one
PubChem CID22003282
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name1-(2-methylcyclopenta-2,4-dien-1-yl)prop-2-en-1-one
SMILESC=CC(=O)C1C=CC=C1C
InChIInChI=1S/C9H10O/c1-3-9(10)8-6-4-5-7(8)2/h3-6,8H,1H2,2H3
InChIKeyIOCXRYCKDNVOBW-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-cyclopenta-2,4-dien-1-ylprop-2-en-1-one
CID 15784096
(6R)-5,6-bis(ethenyl)-1-methylcyclohexa-1,3-diene
CID 144842164
2-prop-2-enylcyclopenta-2,4-diene-1-carboxylic acid
CID 101454997
1,5-dimethyl-4a,8a-dihydronaphthalene
CID 15555373
methyl 2,4-dimethylcyclohepta-2,4,6-triene-1-carboxylate
CID 12670722
1-(2-acetylcyclopenta-2,4-dien-1-yl)ethanone
CID 13152392
2-hydroxycyclopenta-2,4-diene-1-carboxylic acid
CID 174889379
(2-methylcyclopenta-2,4-dien-1-yl)silane
CID 150982672
2,5-dimethylcyclopenta-2,4-diene-1-carboxamide
CID 101214763
methyl 2,6-dimethylcyclohepta-2,4,6-triene-1-carboxylate
CID 12670723
molecular hydrogen;1-[5-[(1S)-1-phenylethyl]cyclopenta-1,3-dien-1-yl]prop-2-en-1-one
CID 143109545
(1S,2R)-1-deuterio-6-methylcyclohexa-3,5-diene-1,2-diol
CID 100921936

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopenta-2,4-dien-1-yl)prop-2-en-1-one?
The IUPAC name of 1-(2-methylcyclopenta-2,4-dien-1-yl)prop-2-en-1-one (CID 22003282) is 1-(2-methylcyclopenta-2,4-dien-1-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(2-methylcyclopenta-2,4-dien-1-yl)prop-2-en-1-one?
The canonical SMILES for 1-(2-methylcyclopenta-2,4-dien-1-yl)prop-2-en-1-one is C=CC(=O)C1C=CC=C1C.
What is the InChIKey of 1-(2-methylcyclopenta-2,4-dien-1-yl)prop-2-en-1-one?
The InChIKey is IOCXRYCKDNVOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-3-9(10)8-6-4-5-7(8)2/h3-6,8H,1H2,2H3.
What are the key properties of 1-(2-methylcyclopenta-2,4-dien-1-yl)prop-2-en-1-one?
1-(2-methylcyclopenta-2,4-dien-1-yl)prop-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-(2-methylcyclopenta-2,4-dien-1-yl)prop-2-en-1-one is sourced from PubChem (CID 22003282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).