4-[2-(2-oxopropyl)phenyl]but-3-enamide

C13H15NO2 — CID 170798223

IUPAC4-[2-(2-oxopropyl)phenyl]but-3-enamide
SMILESCC(=O)Cc1ccccc1C=CCC(N)=O
InChIInChI=1S/C13H15NO2/c1-10(15)9-12-6-3-2-5-11(12)7-4-8-13(14)16/h2-7H,8-9H2,1H3,(H2,14,16)
InChIKeyXPRCQWHXOVNNQW-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.71
Rot. Bonds5

About 4-[2-(2-oxopropyl)phenyl]but-3-enamide

4-[2-(2-oxopropyl)phenyl]but-3-enamide (PubChem CID 170798223) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-[2-(2-oxopropyl)phenyl]but-3-enamide.

Molecular Properties

Compound Name4-[2-(2-oxopropyl)phenyl]but-3-enamide
PubChem CID170798223
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name4-[2-(2-oxopropyl)phenyl]but-3-enamide
SMILESCC(=O)Cc1ccccc1C=CCC(N)=O
InChIInChI=1S/C13H15NO2/c1-10(15)9-12-6-3-2-5-11(12)7-4-8-13(14)16/h2-7H,8-9H2,1H3,(H2,14,16)
InChIKeyXPRCQWHXOVNNQW-UHFFFAOYSA-N
XLogP1.71
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

S-[3-[2-(2-oxopropyl)phenyl]prop-2-enyl] ethanethioate
CID 169457525
4-(2-methoxyphenyl)but-3-enamide
CID 170797506
2-[2-(2-oxopropyl)phenyl]acetamide
CID 174561343
4-(2-chloro-3-hydroxyphenyl)but-3-enamide
CID 170797494
benzyl N-[4-[2-(2-oxopropyl)phenyl]but-3-enyl]carbamate
CID 170494360
4-pyridin-2-ylbut-3-enamide
CID 170797301
4-(3-acetylphenyl)but-3-enamide
CID 170797804
4-anthracen-9-ylbut-3-enamide
CID 170798903
ethyl 4-[2-(2-hydroxyethyl)phenyl]but-3-enoate
CID 170796058
methyl 2-amino-3-(4-amino-4-oxobut-1-enyl)benzoate
CID 170798557
3-(4-amino-4-oxobut-1-enyl)-2-fluorobenzoic acid
CID 170798147
4-quinolin-4-ylbut-3-enamide
CID 170798108

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-oxopropyl)phenyl]but-3-enamide?
The IUPAC name of 4-[2-(2-oxopropyl)phenyl]but-3-enamide (CID 170798223) is 4-[2-(2-oxopropyl)phenyl]but-3-enamide.
What is the SMILES notation for 4-[2-(2-oxopropyl)phenyl]but-3-enamide?
The canonical SMILES for 4-[2-(2-oxopropyl)phenyl]but-3-enamide is CC(=O)Cc1ccccc1C=CCC(N)=O.
What is the InChIKey of 4-[2-(2-oxopropyl)phenyl]but-3-enamide?
The InChIKey is XPRCQWHXOVNNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-10(15)9-12-6-3-2-5-11(12)7-4-8-13(14)16/h2-7H,8-9H2,1H3,(H2,14,16).
What are the key properties of 4-[2-(2-oxopropyl)phenyl]but-3-enamide?
4-[2-(2-oxopropyl)phenyl]but-3-enamide has a molecular weight of 217.27 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-oxopropyl)phenyl]but-3-enamide is sourced from PubChem (CID 170798223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).