N-methyl-3-phenylprop-2-enamide

C10H11NO — CID 4219099

IUPACN-methyl-3-phenylprop-2-enamide
SMILESCNC(=O)C=Cc1ccccc1
InChIInChI=1S/C10H11NO/c1-11-10(12)8-7-9-5-3-2-4-6-9/h2-8H,1H3,(H,11,12)
InChIKeyJNXLTSSPACJLEG-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.45
Rot. Bonds2

About N-methyl-3-phenylprop-2-enamide

N-methyl-3-phenylprop-2-enamide (PubChem CID 4219099) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is N-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-methyl-3-phenylprop-2-enamide
PubChem CID4219099
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC NameN-methyl-3-phenylprop-2-enamide
SMILESCNC(=O)C=Cc1ccccc1
InChIInChI=1S/C10H11NO/c1-11-10(12)8-7-9-5-3-2-4-6-9/h2-8H,1H3,(H,11,12)
InChIKeyJNXLTSSPACJLEG-UHFFFAOYSA-N
XLogP1.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-methyl-3-phenylprop-2-enamide?
The IUPAC name of N-methyl-3-phenylprop-2-enamide (CID 4219099) is N-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for N-methyl-3-phenylprop-2-enamide?
The canonical SMILES for N-methyl-3-phenylprop-2-enamide is CNC(=O)C=Cc1ccccc1.
What is the InChIKey of N-methyl-3-phenylprop-2-enamide?
The InChIKey is JNXLTSSPACJLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-11-10(12)8-7-9-5-3-2-4-6-9/h2-8H,1H3,(H,11,12).
What are the key properties of N-methyl-3-phenylprop-2-enamide?
N-methyl-3-phenylprop-2-enamide has a molecular weight of 161.20 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 4219099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).