[(E)-3-oxo-5-phenylpent-4-en-2-yl] 2-methylprop-2-enoate

C15H16O3 — CID 21195052

IUPAC[(E)-3-oxo-5-phenylpent-4-en-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H16O3/c1-11(2)15(17)18-12(3)14(16)10-9-13-7-5-4-6-8-13/h4-10,12H,1H2,2-3H3/b10-9+
InChIKeyPHSJWJDQFMKNNE-MDZDMXLPSA-N
MW244.29 g/mol
LogP2.78
Rot. Bonds5

About [(E)-3-oxo-5-phenylpent-4-en-2-yl] 2-methylprop-2-enoate

[(E)-3-oxo-5-phenylpent-4-en-2-yl] 2-methylprop-2-enoate (PubChem CID 21195052) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is [(E)-3-oxo-5-phenylpent-4-en-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(E)-3-oxo-5-phenylpent-4-en-2-yl] 2-methylprop-2-enoate
PubChem CID21195052
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name[(E)-3-oxo-5-phenylpent-4-en-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H16O3/c1-11(2)15(17)18-12(3)14(16)10-9-13-7-5-4-6-8-13/h4-10,12H,1H2,2-3H3/b10-9+
InChIKeyPHSJWJDQFMKNNE-MDZDMXLPSA-N
XLogP2.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methyl-1-phenylpent-1-en-3-yl) 2-methylprop-2-enoate
CID 68791034
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
methyl 2-methylidene-4-phenylbut-3-enoate;methyl 2-methylprop-2-enoate
CID 87484967
[1-(dimethylamino)-3-phenylprop-2-enyl] 2-methylprop-2-enoate
CID 57228939
[(E)-4,4-dimethyl-1-phenylpent-1-en-3-yl] 2-methylprop-2-enoate
CID 167189015
N-[(E)-3-oxo-5-phenylpent-4-en-2-yl]acetamide
CID 11680133
2-methylprop-2-enoic acid;3-phenylprop-2-enoic acid
CID 157125853
(E)-4-fluoro-1-phenylpent-1-en-3-one
CID 164677372
1-phenylpropan-2-yl 2-methylprop-2-enoate
CID 68742666
O-propan-2-yl (E)-3-phenylprop-2-enethioate
CID 56930203
2-methylprop-2-enoic acid;[(E)-2-phenylethenyl] 2-methylprop-2-enoate
CID 138598568
[4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate
CID 54432121

Frequently Asked Questions

What is the IUPAC name of [(E)-3-oxo-5-phenylpent-4-en-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [(E)-3-oxo-5-phenylpent-4-en-2-yl] 2-methylprop-2-enoate (CID 21195052) is [(E)-3-oxo-5-phenylpent-4-en-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [(E)-3-oxo-5-phenylpent-4-en-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [(E)-3-oxo-5-phenylpent-4-en-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)C(=O)/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-oxo-5-phenylpent-4-en-2-yl] 2-methylprop-2-enoate?
The InChIKey is PHSJWJDQFMKNNE-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H16O3/c1-11(2)15(17)18-12(3)14(16)10-9-13-7-5-4-6-8-13/h4-10,12H,1H2,2-3H3/b10-9+.
What are the key properties of [(E)-3-oxo-5-phenylpent-4-en-2-yl] 2-methylprop-2-enoate?
[(E)-3-oxo-5-phenylpent-4-en-2-yl] 2-methylprop-2-enoate has a molecular weight of 244.29 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-oxo-5-phenylpent-4-en-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 21195052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).