N-(4-cyanophenyl)-2-methylprop-2-enamide;molecular hydrogen

C11H12N2O — CID 142912025

IUPACN-(4-cyanophenyl)-2-methylprop-2-enamide;molecular hydrogen
SMILESC=C(C)C(=O)Nc1ccc(C#N)cc1.[H][H]
InChIInChI=1S/C11H10N2O.H2/c1-8(2)11(14)13-10-5-3-9(7-12)4-6-10;/h3-6H,1H2,2H3,(H,13,14);1H
InChIKeySTLJKONGBOGVCW-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.32
Rot. Bonds2

About N-(4-cyanophenyl)-2-methylprop-2-enamide;molecular hydrogen

N-(4-cyanophenyl)-2-methylprop-2-enamide;molecular hydrogen (PubChem CID 142912025) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-methylprop-2-enamide;molecular hydrogen.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-methylprop-2-enamide;molecular hydrogen
PubChem CID142912025
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC NameN-(4-cyanophenyl)-2-methylprop-2-enamide;molecular hydrogen
SMILESC=C(C)C(=O)Nc1ccc(C#N)cc1.[H][H]
InChIInChI=1S/C11H10N2O.H2/c1-8(2)11(14)13-10-5-3-9(7-12)4-6-10;/h3-6H,1H2,2H3,(H,13,14);1H
InChIKeySTLJKONGBOGVCW-UHFFFAOYSA-N
XLogP2.32
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.32
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-(4-cyanophenyl)-2-hydroxyprop-2-enamide
CID 141009909
2-cyano-N-(4-cyanophenyl)-3-hydroxy-4-methylpenta-2,4-dienamide
CID 152757521
N'-tert-butyl-N-(4-cyanophenyl)oxamide
CID 108506832
N-[4-[[4-[(4-cyanophenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
CID 126494635
N-(4-cyanophenyl)-2,2-difluoropropanamide
CID 142563454
N'-(4-cyanophenyl)-N-(4-methylphenyl)propanediamide;ethane;molecular hydrogen
CID 142563467
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(4-cyanophenyl)-2,2-dimethylpropanamide
CID 4927441
2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
CID 108933208
N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide
CID 102428329
trans-(1R,2R)-1-N,2-N-bis(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 124628395
N-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide
CID 51142297

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-methylprop-2-enamide;molecular hydrogen?
The IUPAC name of N-(4-cyanophenyl)-2-methylprop-2-enamide;molecular hydrogen (CID 142912025) is N-(4-cyanophenyl)-2-methylprop-2-enamide;molecular hydrogen.
What is the SMILES notation for N-(4-cyanophenyl)-2-methylprop-2-enamide;molecular hydrogen?
The canonical SMILES for N-(4-cyanophenyl)-2-methylprop-2-enamide;molecular hydrogen is C=C(C)C(=O)Nc1ccc(C#N)cc1.[H][H].
What is the InChIKey of N-(4-cyanophenyl)-2-methylprop-2-enamide;molecular hydrogen?
The InChIKey is STLJKONGBOGVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O.H2/c1-8(2)11(14)13-10-5-3-9(7-12)4-6-10;/h3-6H,1H2,2H3,(H,13,14);1H.
What are the key properties of N-(4-cyanophenyl)-2-methylprop-2-enamide;molecular hydrogen?
N-(4-cyanophenyl)-2-methylprop-2-enamide;molecular hydrogen has a molecular weight of 188.23 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-methylprop-2-enamide;molecular hydrogen is sourced from PubChem (CID 142912025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).