N-(2-cyanophenyl)-N,2-dimethylprop-2-enamide

C12H12N2O — CID 132534452

IUPACN-(2-cyanophenyl)-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)c1ccccc1C#N
InChIInChI=1S/C12H12N2O/c1-9(2)12(15)14(3)11-7-5-4-6-10(11)8-13/h4-7H,1H2,2-3H3
InChIKeyDUIBUCMIXAKZCS-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.10
Rot. Bonds2

About N-(2-cyanophenyl)-N,2-dimethylprop-2-enamide

N-(2-cyanophenyl)-N,2-dimethylprop-2-enamide (PubChem CID 132534452) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is N-(2-cyanophenyl)-N,2-dimethylprop-2-enamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-N,2-dimethylprop-2-enamide
PubChem CID132534452
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC NameN-(2-cyanophenyl)-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)c1ccccc1C#N
InChIInChI=1S/C12H12N2O/c1-9(2)12(15)14(3)11-7-5-4-6-10(11)8-13/h4-7H,1H2,2-3H3
InChIKeyDUIBUCMIXAKZCS-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 50
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-(2-cyanophenyl)-N,2-dimethylprop-2-enamide?
The IUPAC name of N-(2-cyanophenyl)-N,2-dimethylprop-2-enamide (CID 132534452) is N-(2-cyanophenyl)-N,2-dimethylprop-2-enamide.
What is the SMILES notation for N-(2-cyanophenyl)-N,2-dimethylprop-2-enamide?
The canonical SMILES for N-(2-cyanophenyl)-N,2-dimethylprop-2-enamide is C=C(C)C(=O)N(C)c1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-N,2-dimethylprop-2-enamide?
The InChIKey is DUIBUCMIXAKZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9(2)12(15)14(3)11-7-5-4-6-10(11)8-13/h4-7H,1H2,2-3H3.
What are the key properties of N-(2-cyanophenyl)-N,2-dimethylprop-2-enamide?
N-(2-cyanophenyl)-N,2-dimethylprop-2-enamide has a molecular weight of 200.24 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-N,2-dimethylprop-2-enamide is sourced from PubChem (CID 132534452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).