4-(3-acetylphenyl)but-3-enamide

C12H13NO2 — CID 170797804

IUPAC4-(3-acetylphenyl)but-3-enamide
SMILESCC(=O)c1cccc(C=CCC(N)=O)c1
InChIInChI=1S/C12H13NO2/c1-9(14)11-6-2-4-10(8-11)5-3-7-12(13)15/h2-6,8H,7H2,1H3,(H2,13,15)
InChIKeyISAGBUZWCIAKKC-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.78
Rot. Bonds4

About 4-(3-acetylphenyl)but-3-enamide

4-(3-acetylphenyl)but-3-enamide (PubChem CID 170797804) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-(3-acetylphenyl)but-3-enamide.

Molecular Properties

Compound Name4-(3-acetylphenyl)but-3-enamide
PubChem CID170797804
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-(3-acetylphenyl)but-3-enamide
SMILESCC(=O)c1cccc(C=CCC(N)=O)c1
InChIInChI=1S/C12H13NO2/c1-9(14)11-6-2-4-10(8-11)5-3-7-12(13)15/h2-6,8H,7H2,1H3,(H2,13,15)
InChIKeyISAGBUZWCIAKKC-UHFFFAOYSA-N
XLogP1.78
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-tert-butylphenyl)but-3-enamide
CID 170798133
1-[3-[(E)-hex-1-enyl]phenyl]ethanone
CID 10512317
(Z)-6-(3-acetylphenyl)-N,N-dimethylhex-5-enamide
CID 138465388
4-(3-propan-2-ylsulfonylphenyl)but-3-enamide
CID 170798733
3-(3-aminoprop-1-enyl)benzamide
CID 169463660
4-(4-prop-1-en-2-ylphenyl)but-3-enamide
CID 170797716
4-(3-carbamimidoylphenyl)but-3-enoic acid
CID 170483511
1-[3-(4-azidobut-1-enyl)phenyl]ethanone
CID 170485174
4-(3,5-dimethylphenyl)but-3-enamide
CID 170797430
4-(6-acetyl-2-pyridinyl)but-3-enamide
CID 170798002
3-prop-1-enylbenzamide
CID 70146317
1-[3-(hydroxyiminomethyl)phenyl]ethanone
CID 139968005

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylphenyl)but-3-enamide?
The IUPAC name of 4-(3-acetylphenyl)but-3-enamide (CID 170797804) is 4-(3-acetylphenyl)but-3-enamide.
What is the SMILES notation for 4-(3-acetylphenyl)but-3-enamide?
The canonical SMILES for 4-(3-acetylphenyl)but-3-enamide is CC(=O)c1cccc(C=CCC(N)=O)c1.
What is the InChIKey of 4-(3-acetylphenyl)but-3-enamide?
The InChIKey is ISAGBUZWCIAKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-9(14)11-6-2-4-10(8-11)5-3-7-12(13)15/h2-6,8H,7H2,1H3,(H2,13,15).
What are the key properties of 4-(3-acetylphenyl)but-3-enamide?
4-(3-acetylphenyl)but-3-enamide has a molecular weight of 203.24 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylphenyl)but-3-enamide is sourced from PubChem (CID 170797804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).