2-cyano-N,N-dimethyl-3-phenylprop-2-enamide

C12H12N2O — CID 71357997

IUPAC2-cyano-N,N-dimethyl-3-phenylprop-2-enamide
SMILESCN(C)C(=O)C(C#N)=Cc1ccccc1
InChIInChI=1S/C12H12N2O/c1-14(2)12(15)11(9-13)8-10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyQIXJDHLZVTXJEG-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.68
Rot. Bonds2

About 2-cyano-N,N-dimethyl-3-phenylprop-2-enamide

2-cyano-N,N-dimethyl-3-phenylprop-2-enamide (PubChem CID 71357997) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-cyano-N,N-dimethyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name2-cyano-N,N-dimethyl-3-phenylprop-2-enamide
PubChem CID71357997
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-cyano-N,N-dimethyl-3-phenylprop-2-enamide
SMILESCN(C)C(=O)C(C#N)=Cc1ccccc1
InChIInChI=1S/C12H12N2O/c1-14(2)12(15)11(9-13)8-10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyQIXJDHLZVTXJEG-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-cyano-N,N-dimethyl-3-(4-phenylphenyl)prop-2-enamide
CID 132546388
(Z)-2-cyano-3-(4-methoxyphenyl)-N,N-dimethylprop-2-enamide
CID 5375025
2-cyano-4-methyl-5-phenylpenta-2,4-dienoic acid
CID 78648562
(E)-N,N,2-trimethyl-3-phenylprop-2-enamide
CID 6372631
(Z)-2-(4-acetylpiperazine-1-carbonyl)-3-phenylprop-2-enenitrile
CID 2435962
(E)-2-benzoyl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
CID 5388631
2-[(E)-2-cyano-3-phenylprop-2-enoyl]oxyethyl (E)-2-cyano-3-phenylprop-2-enoate
CID 2426764
3-phenyl-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 72978662
(2Z)-2-benzylidene-3-methylidenebutanedinitrile
CID 88843366
2-cyano-3-(1H-indazol-5-yl)-N,N-dimethylprop-2-enamide
CID 67207778
(E)-N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-cyano-N-methyl-3-phenylprop-2-enamide
CID 108764535
[(Z)-ethylideneamino] (E)-2-cyano-3-phenylprop-2-enoate
CID 123644224

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N,N-dimethyl-3-phenylprop-2-enamide?
The IUPAC name of 2-cyano-N,N-dimethyl-3-phenylprop-2-enamide (CID 71357997) is 2-cyano-N,N-dimethyl-3-phenylprop-2-enamide.
What is the SMILES notation for 2-cyano-N,N-dimethyl-3-phenylprop-2-enamide?
The canonical SMILES for 2-cyano-N,N-dimethyl-3-phenylprop-2-enamide is CN(C)C(=O)C(C#N)=Cc1ccccc1.
What is the InChIKey of 2-cyano-N,N-dimethyl-3-phenylprop-2-enamide?
The InChIKey is QIXJDHLZVTXJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-14(2)12(15)11(9-13)8-10-6-4-3-5-7-10/h3-8H,1-2H3.
What are the key properties of 2-cyano-N,N-dimethyl-3-phenylprop-2-enamide?
2-cyano-N,N-dimethyl-3-phenylprop-2-enamide has a molecular weight of 200.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N,N-dimethyl-3-phenylprop-2-enamide is sourced from PubChem (CID 71357997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).