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

C14H12O — CID 136630217

IUPAC2-cyclopenta-2,4-dien-1-yl-1-phenylprop-2-en-1-one
SMILESC=C(C(=O)c1ccccc1)C1C=CC=C1
InChIInChI=1S/C14H12O/c1-11(12-7-5-6-8-12)14(15)13-9-3-2-4-10-13/h2-10,12H,1H2
InChIKeyYVQHWEJPIYNYHG-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.17
Rot. Bonds3

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

2-cyclopenta-2,4-dien-1-yl-1-phenylprop-2-en-1-one (PubChem CID 136630217) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-cyclopenta-2,4-dien-1-yl-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name2-cyclopenta-2,4-dien-1-yl-1-phenylprop-2-en-1-one
PubChem CID136630217
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name2-cyclopenta-2,4-dien-1-yl-1-phenylprop-2-en-1-one
SMILESC=C(C(=O)c1ccccc1)C1C=CC=C1
InChIInChI=1S/C14H12O/c1-11(12-7-5-6-8-12)14(15)13-9-3-2-4-10-13/h2-10,12H,1H2
InChIKeyYVQHWEJPIYNYHG-UHFFFAOYSA-N
XLogP3.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.17
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

bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione;iron
CID 70488368
2-methylidene-1-phenylbutane-1,3-dione
CID 11344281
ethane;3-methyl-2-methylidene-1-phenylbutan-1-one
CID 91407389
bis(1,2-diphenylethane-1,2-dione);silylidenezirconium
CID 158973097
benzoic acid;(1R,2S)-cyclohexa-3,5-diene-1,2-diol
CID 71406115
2-oxo-2-phenylacetic acid;yttrium
CID 20801354
3-benzoylbut-3-enoic acid
CID 12600140

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-2,4-dien-1-yl-1-phenylprop-2-en-1-one?
The IUPAC name of 2-cyclopenta-2,4-dien-1-yl-1-phenylprop-2-en-1-one (CID 136630217) is 2-cyclopenta-2,4-dien-1-yl-1-phenylprop-2-en-1-one.
What is the SMILES notation for 2-cyclopenta-2,4-dien-1-yl-1-phenylprop-2-en-1-one?
The canonical SMILES for 2-cyclopenta-2,4-dien-1-yl-1-phenylprop-2-en-1-one is C=C(C(=O)c1ccccc1)C1C=CC=C1.
What is the InChIKey of 2-cyclopenta-2,4-dien-1-yl-1-phenylprop-2-en-1-one?
The InChIKey is YVQHWEJPIYNYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O/c1-11(12-7-5-6-8-12)14(15)13-9-3-2-4-10-13/h2-10,12H,1H2.
What are the key properties of 2-cyclopenta-2,4-dien-1-yl-1-phenylprop-2-en-1-one?
2-cyclopenta-2,4-dien-1-yl-1-phenylprop-2-en-1-one has a molecular weight of 196.25 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-2,4-dien-1-yl-1-phenylprop-2-en-1-one is sourced from PubChem (CID 136630217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).