(Z)-4-(4-cyanophenyl)-N-methylbut-2-enamide

C12H12N2O — CID 143880996

IUPAC(Z)-4-(4-cyanophenyl)-N-methylbut-2-enamide
SMILESCNC(=O)/C=C\Cc1ccc(C#N)cc1
InChIInChI=1S/C12H12N2O/c1-14-12(15)4-2-3-10-5-7-11(9-13)8-6-10/h2,4-8H,3H2,1H3,(H,14,15)/b4-2-
InChIKeyMOGFDMNSQMVKIW-RQOWECAXSA-N
MW200.24 g/mol
LogP1.40
Rot. Bonds3

About (Z)-4-(4-cyanophenyl)-N-methylbut-2-enamide

(Z)-4-(4-cyanophenyl)-N-methylbut-2-enamide (PubChem CID 143880996) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is (Z)-4-(4-cyanophenyl)-N-methylbut-2-enamide.

Molecular Properties

Compound Name(Z)-4-(4-cyanophenyl)-N-methylbut-2-enamide
PubChem CID143880996
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name(Z)-4-(4-cyanophenyl)-N-methylbut-2-enamide
SMILESCNC(=O)/C=C\Cc1ccc(C#N)cc1
InChIInChI=1S/C12H12N2O/c1-14-12(15)4-2-3-10-5-7-11(9-13)8-6-10/h2,4-8H,3H2,1H3,(H,14,15)/b4-2-
InChIKeyMOGFDMNSQMVKIW-RQOWECAXSA-N
XLogP1.40
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methylmethanamine;4-prop-2-enylbenzonitrile
CID 142157746
4-(2-iminoethyl)benzonitrile
CID 155605693
(2R)-2-[(4-cyanophenyl)methylamino]-N-methylpropanamide
CID 93355745
2-[(4-cyanophenyl)methylamino]-N-methylpropanamide
CID 60918903
4-(4-cyanophenyl)-N-methylbenzamide
CID 130318851
(E)-N-methyl-3-[4-(methylaminomethyl)phenyl]prop-2-enamide
CID 164990335
4-[(4-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 66612711
(E)-4-[(4-cyanophenyl)methyl-methylamino]-4-oxobut-2-enoic acid
CID 54875290
N-[(4-cyanophenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 62847790
methyl 4-[(4-cyanophenyl)methylsulfanylmethyl]benzoate
CID 4797129
2-(4-cyanophenyl)-N-(3-methylbut-2-enyl)acetamide
CID 103528203
4-[[4-(methylamino)phenyl]methyl]benzonitrile
CID 147207222

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4-cyanophenyl)-N-methylbut-2-enamide?
The IUPAC name of (Z)-4-(4-cyanophenyl)-N-methylbut-2-enamide (CID 143880996) is (Z)-4-(4-cyanophenyl)-N-methylbut-2-enamide.
What is the SMILES notation for (Z)-4-(4-cyanophenyl)-N-methylbut-2-enamide?
The canonical SMILES for (Z)-4-(4-cyanophenyl)-N-methylbut-2-enamide is CNC(=O)/C=C\Cc1ccc(C#N)cc1.
What is the InChIKey of (Z)-4-(4-cyanophenyl)-N-methylbut-2-enamide?
The InChIKey is MOGFDMNSQMVKIW-RQOWECAXSA-N. The full InChI is InChI=1S/C12H12N2O/c1-14-12(15)4-2-3-10-5-7-11(9-13)8-6-10/h2,4-8H,3H2,1H3,(H,14,15)/b4-2-.
What are the key properties of (Z)-4-(4-cyanophenyl)-N-methylbut-2-enamide?
(Z)-4-(4-cyanophenyl)-N-methylbut-2-enamide has a molecular weight of 200.24 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-cyanophenyl)-N-methylbut-2-enamide is sourced from PubChem (CID 143880996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).