1-cyano-N-(3,4-dimethylphenyl)formamide

C10H10N2O — CID 4056837

IUPAC1-cyano-N-(3,4-dimethylphenyl)formamide
SMILESCc1ccc(NC(=O)C#N)cc1C
InChIInChI=1S/C10H10N2O/c1-7-3-4-9(5-8(7)2)12-10(13)6-11/h3-5H,1-2H3,(H,12,13)
InChIKeyQPVGVGODCGMOKX-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.77
Rot. Bonds1

About 1-cyano-N-(3,4-dimethylphenyl)formamide

1-cyano-N-(3,4-dimethylphenyl)formamide (PubChem CID 4056837) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-cyano-N-(3,4-dimethylphenyl)formamide.

Molecular Properties

Compound Name1-cyano-N-(3,4-dimethylphenyl)formamide
PubChem CID4056837
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name1-cyano-N-(3,4-dimethylphenyl)formamide
SMILESCc1ccc(NC(=O)C#N)cc1C
InChIInChI=1S/C10H10N2O/c1-7-3-4-9(5-8(7)2)12-10(13)6-11/h3-5H,1-2H3,(H,12,13)
InChIKeyQPVGVGODCGMOKX-UHFFFAOYSA-N
XLogP1.77
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033
N-(3-bromo-4-methoxyphenyl)-1-cyanoformamide
CID 115171833
3-cyano-N-(3,4-dimethylphenyl)butanamide
CID 82113806
N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967928
N-(3,4-dimethylphenyl)-3-(1,2,2-tricyanoethenylamino)benzamide
CID 168607008
4-(cyanomethyl)-N-(3,4-dimethylphenyl)benzamide
CID 82179426
dimethyl 2,3-bis(3,4-dimethylanilino)but-2-enedioate
CID 71353836
methyl 2-(3,4-dimethylanilino)-2-oxoacetate
CID 11557524
N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide
CID 100707473
1-(3,5-dihydroxyphenyl)-3-(3,4-dimethylphenyl)urea
CID 108895471
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(3,4-dimethylphenyl)formamide?
The IUPAC name of 1-cyano-N-(3,4-dimethylphenyl)formamide (CID 4056837) is 1-cyano-N-(3,4-dimethylphenyl)formamide.
What is the SMILES notation for 1-cyano-N-(3,4-dimethylphenyl)formamide?
The canonical SMILES for 1-cyano-N-(3,4-dimethylphenyl)formamide is Cc1ccc(NC(=O)C#N)cc1C.
What is the InChIKey of 1-cyano-N-(3,4-dimethylphenyl)formamide?
The InChIKey is QPVGVGODCGMOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7-3-4-9(5-8(7)2)12-10(13)6-11/h3-5H,1-2H3,(H,12,13).
What are the key properties of 1-cyano-N-(3,4-dimethylphenyl)formamide?
1-cyano-N-(3,4-dimethylphenyl)formamide has a molecular weight of 174.20 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(3,4-dimethylphenyl)formamide is sourced from PubChem (CID 4056837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).