(Z)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide

C12H13N3O — CID 22301644

IUPAC(Z)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide
SMILESCN(C)/C=C(/C#N)C(=O)Nc1ccccc1
InChIInChI=1S/C12H13N3O/c1-15(2)9-10(8-13)12(16)14-11-6-4-3-5-7-11/h3-7,9H,1-2H3,(H,14,16)/b10-9-
InChIKeyDKQRAHUZMNXWFV-KTKRTIGZSA-N
MW215.26 g/mol
LogP1.59
Rot. Bonds3

About (Z)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide

(Z)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide (PubChem CID 22301644) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is (Z)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide
PubChem CID22301644
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(Z)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide
SMILESCN(C)/C=C(/C#N)C(=O)Nc1ccccc1
InChIInChI=1S/C12H13N3O/c1-15(2)9-10(8-13)12(16)14-11-6-4-3-5-7-11/h3-7,9H,1-2H3,(H,14,16)/b10-9-
InChIKeyDKQRAHUZMNXWFV-KTKRTIGZSA-N
XLogP1.59
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-3-(dimethylamino)-N-pyridin-4-ylprop-2-enamide
CID 2799818
N-(3-chlorophenyl)-2-cyano-3-(dimethylamino)prop-2-enamide
CID 3759138
(E)-2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide
CID 154854308
2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide
CID 171149261
(E)-2-cyano-N,5-diphenylpent-2-en-4-ynamide
CID 100985108
(Z)-2-cyano-3-(N-methylanilino)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 108841875
(E)-2-cyano-3-(dimethylamino)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 139217074
(E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-phenylprop-2-enamide
CID 877036
(Z)-N-(4-aminophenyl)-2-cyano-3-(dibenzylamino)prop-2-enamide
CID 108818087
(Z)-N-(4-aminophenyl)-3-[benzyl(ethyl)amino]-2-cyanoprop-2-enamide
CID 108818084
(Z)-3-anilino-2-cyano-N-(4-fluorophenyl)prop-2-enamide
CID 108851908
2-cyano-3-(dimethylamino)-N-methylprop-2-enamide
CID 3467239

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide (CID 22301644) is (Z)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide is CN(C)/C=C(/C#N)C(=O)Nc1ccccc1.
What is the InChIKey of (Z)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide?
The InChIKey is DKQRAHUZMNXWFV-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H13N3O/c1-15(2)9-10(8-13)12(16)14-11-6-4-3-5-7-11/h3-7,9H,1-2H3,(H,14,16)/b10-9-.
What are the key properties of (Z)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide?
(Z)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide has a molecular weight of 215.26 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide is sourced from PubChem (CID 22301644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).