N-[(E)-3-oxo-5-phenylpent-4-en-2-yl]acetamide

C13H15NO2 — CID 11680133

IUPACN-[(E)-3-oxo-5-phenylpent-4-en-2-yl]acetamide
SMILESCC(=O)NC(C)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H15NO2/c1-10(14-11(2)15)13(16)9-8-12-6-4-3-5-7-12/h3-10H,1-2H3,(H,14,15)/b9-8+
InChIKeyDKQLAHWJJJTHHZ-CMDGGOBGSA-N
MW217.27 g/mol
LogP1.79
Rot. Bonds4

About N-[(E)-3-oxo-5-phenylpent-4-en-2-yl]acetamide

N-[(E)-3-oxo-5-phenylpent-4-en-2-yl]acetamide (PubChem CID 11680133) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[(E)-3-oxo-5-phenylpent-4-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-3-oxo-5-phenylpent-4-en-2-yl]acetamide
PubChem CID11680133
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-[(E)-3-oxo-5-phenylpent-4-en-2-yl]acetamide
SMILESCC(=O)NC(C)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H15NO2/c1-10(14-11(2)15)13(16)9-8-12-6-4-3-5-7-12/h3-10H,1-2H3,(H,14,15)/b9-8+
InChIKeyDKQLAHWJJJTHHZ-CMDGGOBGSA-N
XLogP1.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-oxo-1,4-diphenylbut-3-enyl)acetamide
CID 71375700
(E)-4-fluoro-1-phenylpent-1-en-3-one
CID 164677372
N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide
CID 79023633
(E)-N-(1-hydroxypropan-2-yl)-3-phenylprop-2-enamide
CID 6434086
N-(4-acetamidophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51160433
[(E)-3-oxo-5-phenylpent-4-en-2-yl] 2-methylprop-2-enoate
CID 21195052
N-methyl-2-(3-phenylprop-2-enoylamino)propanamide
CID 75266241
N-(2-phenylethenyl)acetamide
CID 54032077
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
N-(1-hydroxypropan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 110887309
N-[(E)-5-(3-hydroxyphenyl)-2-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide
CID 71536720

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-oxo-5-phenylpent-4-en-2-yl]acetamide?
The IUPAC name of N-[(E)-3-oxo-5-phenylpent-4-en-2-yl]acetamide (CID 11680133) is N-[(E)-3-oxo-5-phenylpent-4-en-2-yl]acetamide.
What is the SMILES notation for N-[(E)-3-oxo-5-phenylpent-4-en-2-yl]acetamide?
The canonical SMILES for N-[(E)-3-oxo-5-phenylpent-4-en-2-yl]acetamide is CC(=O)NC(C)C(=O)/C=C/c1ccccc1.
What is the InChIKey of N-[(E)-3-oxo-5-phenylpent-4-en-2-yl]acetamide?
The InChIKey is DKQLAHWJJJTHHZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H15NO2/c1-10(14-11(2)15)13(16)9-8-12-6-4-3-5-7-12/h3-10H,1-2H3,(H,14,15)/b9-8+.
What are the key properties of N-[(E)-3-oxo-5-phenylpent-4-en-2-yl]acetamide?
N-[(E)-3-oxo-5-phenylpent-4-en-2-yl]acetamide has a molecular weight of 217.27 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-oxo-5-phenylpent-4-en-2-yl]acetamide is sourced from PubChem (CID 11680133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).