1-cyano-N-methyl-N-(2-prop-1-en-2-ylphenyl)formamide

C12H12N2O — CID 102402426

IUPAC1-cyano-N-methyl-N-(2-prop-1-en-2-ylphenyl)formamide
SMILESC=C(C)c1ccccc1N(C)C(=O)C#N
InChIInChI=1S/C12H12N2O/c1-9(2)10-6-4-5-7-11(10)14(3)12(15)8-13/h4-7H,1H2,2-3H3
InChIKeyIIPKGWFOGCFPCF-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.21
Rot. Bonds2

About 1-cyano-N-methyl-N-(2-prop-1-en-2-ylphenyl)formamide

1-cyano-N-methyl-N-(2-prop-1-en-2-ylphenyl)formamide (PubChem CID 102402426) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-(2-prop-1-en-2-ylphenyl)formamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-(2-prop-1-en-2-ylphenyl)formamide
PubChem CID102402426
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-cyano-N-methyl-N-(2-prop-1-en-2-ylphenyl)formamide
SMILESC=C(C)c1ccccc1N(C)C(=O)C#N
InChIInChI=1S/C12H12N2O/c1-9(2)10-6-4-5-7-11(10)14(3)12(15)8-13/h4-7H,1H2,2-3H3
InChIKeyIIPKGWFOGCFPCF-UHFFFAOYSA-N
XLogP2.21
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyano-N-methyl-N-(2-prop-1-en-2-ylphenyl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trichloro-N-methyl-N-(2-prop-1-en-2-ylphenyl)acetamide
CID 101456073
1-[2-[N-methyl-2-(N-methyl-2-prop-1-en-2-ylanilino)anilino]phenyl]ethanone
CID 137482788
1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
CID 175029396
lithium 1,2-bis(prop-1-en-2-yl)benzene
CID 22717015
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
2-[methyl-[methyl(2-methylprop-2-enyl)carbamoyl]amino]benzoic acid
CID 113498695
2-(dimethylamino)benzoic acid;2-methylprop-2-enoic acid
CID 146636076
N-(2-acetylphenyl)-N,3-dimethylbut-2-enamide
CID 11831267
1-cyano-N-methyl-N-(2,4,5-trimethoxyphenyl)formamide
CID 115172074
lithium 2-prop-1-en-2-ylbenzoate
CID 102161119
1,2-bis(prop-1-en-2-yl)benzene;propane
CID 142274191
1-(2-prop-1-en-2-ylphenyl)propan-2-one
CID 68638096

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-(2-prop-1-en-2-ylphenyl)formamide?
The IUPAC name of 1-cyano-N-methyl-N-(2-prop-1-en-2-ylphenyl)formamide (CID 102402426) is 1-cyano-N-methyl-N-(2-prop-1-en-2-ylphenyl)formamide.
What is the SMILES notation for 1-cyano-N-methyl-N-(2-prop-1-en-2-ylphenyl)formamide?
The canonical SMILES for 1-cyano-N-methyl-N-(2-prop-1-en-2-ylphenyl)formamide is C=C(C)c1ccccc1N(C)C(=O)C#N.
What is the InChIKey of 1-cyano-N-methyl-N-(2-prop-1-en-2-ylphenyl)formamide?
The InChIKey is IIPKGWFOGCFPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9(2)10-6-4-5-7-11(10)14(3)12(15)8-13/h4-7H,1H2,2-3H3.
What are the key properties of 1-cyano-N-methyl-N-(2-prop-1-en-2-ylphenyl)formamide?
1-cyano-N-methyl-N-(2-prop-1-en-2-ylphenyl)formamide has a molecular weight of 200.24 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-(2-prop-1-en-2-ylphenyl)formamide is sourced from PubChem (CID 102402426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).