4-methyl-2-methylidene-N-phenylpent-4-enamide

C13H15NO — CID 53236011

IUPAC4-methyl-2-methylidene-N-phenylpent-4-enamide
SMILESC=C(C)CC(=C)C(=O)Nc1ccccc1
InChIInChI=1S/C13H15NO/c1-10(2)9-11(3)13(15)14-12-7-5-4-6-8-12/h4-8H,1,3,9H2,2H3,(H,14,15)
InChIKeyLQZHRDYFCFWQGN-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.15
Rot. Bonds4

About 4-methyl-2-methylidene-N-phenylpent-4-enamide

4-methyl-2-methylidene-N-phenylpent-4-enamide (PubChem CID 53236011) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-methyl-2-methylidene-N-phenylpent-4-enamide.

Molecular Properties

Compound Name4-methyl-2-methylidene-N-phenylpent-4-enamide
PubChem CID53236011
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name4-methyl-2-methylidene-N-phenylpent-4-enamide
SMILESC=C(C)CC(=C)C(=O)Nc1ccccc1
InChIInChI=1S/C13H15NO/c1-10(2)9-11(3)13(15)14-12-7-5-4-6-8-12/h4-8H,1,3,9H2,2H3,(H,14,15)
InChIKeyLQZHRDYFCFWQGN-UHFFFAOYSA-N
XLogP3.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-anilino-N-phenylprop-2-enamide
CID 20522355
methylboronic acid;2-methyl-N-phenylprop-2-enamide
CID 159528809
N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide
CID 102428329
N-acetyl-2-[3-(phenylcarbamoyl)but-3-enoyl]benzamide
CID 177498938
2-(butylaminomethyl)-N-phenylprop-2-enamide
CID 10376659
cobalt;N-phenylacetamide
CID 158689050
N',N'-diethyl-N-phenyloxamide
CID 14925038
N'-phenyl-N-propyloxamide
CID 2291438
2-methyl-N-phenylprop-2-enamide;styrene
CID 70398128
(Z)-2-methyl-3-(methylamino)-N-phenylbut-2-enamide
CID 70960210
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
2-(diethylamino)-N-phenyl-2-sulfanylideneacetamide
CID 4517186

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylidene-N-phenylpent-4-enamide?
The IUPAC name of 4-methyl-2-methylidene-N-phenylpent-4-enamide (CID 53236011) is 4-methyl-2-methylidene-N-phenylpent-4-enamide.
What is the SMILES notation for 4-methyl-2-methylidene-N-phenylpent-4-enamide?
The canonical SMILES for 4-methyl-2-methylidene-N-phenylpent-4-enamide is C=C(C)CC(=C)C(=O)Nc1ccccc1.
What is the InChIKey of 4-methyl-2-methylidene-N-phenylpent-4-enamide?
The InChIKey is LQZHRDYFCFWQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-10(2)9-11(3)13(15)14-12-7-5-4-6-8-12/h4-8H,1,3,9H2,2H3,(H,14,15).
What are the key properties of 4-methyl-2-methylidene-N-phenylpent-4-enamide?
4-methyl-2-methylidene-N-phenylpent-4-enamide has a molecular weight of 201.27 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylidene-N-phenylpent-4-enamide is sourced from PubChem (CID 53236011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).