N-(3-acetylphenyl)-2-methylprop-2-enamide

C12H13NO2 — CID 896529

IUPACN-(3-acetylphenyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C12H13NO2/c1-8(2)12(15)13-11-6-4-5-10(7-11)9(3)14/h4-7H,1H2,2-3H3,(H,13,15)
InChIKeyRIXDVEMPWQLLDK-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.40
Rot. Bonds3

About N-(3-acetylphenyl)-2-methylprop-2-enamide

N-(3-acetylphenyl)-2-methylprop-2-enamide (PubChem CID 896529) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-methylprop-2-enamide
PubChem CID896529
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC NameN-(3-acetylphenyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C12H13NO2/c1-8(2)12(15)13-11-6-4-5-10(7-11)9(3)14/h4-7H,1H2,2-3H3,(H,13,15)
InChIKeyRIXDVEMPWQLLDK-UHFFFAOYSA-N
XLogP2.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.40
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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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-methylprop-2-enamide?
The IUPAC name of N-(3-acetylphenyl)-2-methylprop-2-enamide (CID 896529) is N-(3-acetylphenyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(3-acetylphenyl)-2-methylprop-2-enamide is C=C(C)C(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-methylprop-2-enamide?
The InChIKey is RIXDVEMPWQLLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8(2)12(15)13-11-6-4-5-10(7-11)9(3)14/h4-7H,1H2,2-3H3,(H,13,15).
What are the key properties of N-(3-acetylphenyl)-2-methylprop-2-enamide?
N-(3-acetylphenyl)-2-methylprop-2-enamide has a molecular weight of 203.24 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-methylprop-2-enamide is sourced from PubChem (CID 896529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).