(E)-5-oxo-5-phenylpent-2-enoic acid

C11H10O3 — CID 23337590

IUPAC(E)-5-oxo-5-phenylpent-2-enoic acid
SMILESO=C(O)/C=C/CC(=O)c1ccccc1
InChIInChI=1S/C11H10O3/c12-10(7-4-8-11(13)14)9-5-2-1-3-6-9/h1-6,8H,7H2,(H,13,14)/b8-4+
InChIKeyBIGFIASBYZZTIZ-XBXARRHUSA-N
MW190.20 g/mol
LogP1.90
Rot. Bonds4

About (E)-5-oxo-5-phenylpent-2-enoic acid

(E)-5-oxo-5-phenylpent-2-enoic acid (PubChem CID 23337590) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is (E)-5-oxo-5-phenylpent-2-enoic acid.

Molecular Properties

Compound Name(E)-5-oxo-5-phenylpent-2-enoic acid
PubChem CID23337590
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name(E)-5-oxo-5-phenylpent-2-enoic acid
SMILESO=C(O)/C=C/CC(=O)c1ccccc1
InChIInChI=1S/C11H10O3/c12-10(7-4-8-11(13)14)9-5-2-1-3-6-9/h1-6,8H,7H2,(H,13,14)/b8-4+
InChIKeyBIGFIASBYZZTIZ-XBXARRHUSA-N
XLogP1.90
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-5-oxo-5-phenylpent-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-phenylhex-3-ene-1,5-dione
CID 15568424
(E)-but-2-enedioic acid;1-phenylpropan-1-one
CID 172758330
(E)-5-oxo-5-phenylpent-2-enenitrile
CID 15568412
sodium;hydride;3-oxo-3-phenylpropanal
CID 173206962
7-oxo-5,7-diphenylhept-2-enoic acid
CID 71390061
(E)-5-(furan-2-yl)-5-oxopent-2-enoic acid
CID 20529977
diphenylmethanone;1-phenylbut-3-en-1-one
CID 122640182
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
hepta-2,5-dienedioic acid
CID 74058962
benzene;2-hydroxy-1-phenylethanone
CID 174663024
(E)-1-(4-acetylphenyl)-4-phenylbut-3-en-1-one
CID 46928519

Frequently Asked Questions

What is the IUPAC name of (E)-5-oxo-5-phenylpent-2-enoic acid?
The IUPAC name of (E)-5-oxo-5-phenylpent-2-enoic acid (CID 23337590) is (E)-5-oxo-5-phenylpent-2-enoic acid.
What is the SMILES notation for (E)-5-oxo-5-phenylpent-2-enoic acid?
The canonical SMILES for (E)-5-oxo-5-phenylpent-2-enoic acid is O=C(O)/C=C/CC(=O)c1ccccc1.
What is the InChIKey of (E)-5-oxo-5-phenylpent-2-enoic acid?
The InChIKey is BIGFIASBYZZTIZ-XBXARRHUSA-N. The full InChI is InChI=1S/C11H10O3/c12-10(7-4-8-11(13)14)9-5-2-1-3-6-9/h1-6,8H,7H2,(H,13,14)/b8-4+.
What are the key properties of (E)-5-oxo-5-phenylpent-2-enoic acid?
(E)-5-oxo-5-phenylpent-2-enoic acid has a molecular weight of 190.20 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-oxo-5-phenylpent-2-enoic acid is sourced from PubChem (CID 23337590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).