1-cyano-N-(2-methoxy-5-methylphenyl)-N-methylformamide

C11H12N2O2 — CID 115171963

IUPAC1-cyano-N-(2-methoxy-5-methylphenyl)-N-methylformamide
SMILESCOc1ccc(C)cc1N(C)C(=O)C#N
InChIInChI=1S/C11H12N2O2/c1-8-4-5-10(15-3)9(6-8)13(2)11(14)7-12/h4-6H,1-3H3
InChIKeyWAUOREKTLRDSHE-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.49
Rot. Bonds2

About 1-cyano-N-(2-methoxy-5-methylphenyl)-N-methylformamide

1-cyano-N-(2-methoxy-5-methylphenyl)-N-methylformamide (PubChem CID 115171963) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-cyano-N-(2-methoxy-5-methylphenyl)-N-methylformamide.

Molecular Properties

Compound Name1-cyano-N-(2-methoxy-5-methylphenyl)-N-methylformamide
PubChem CID115171963
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-cyano-N-(2-methoxy-5-methylphenyl)-N-methylformamide
SMILESCOc1ccc(C)cc1N(C)C(=O)C#N
InChIInChI=1S/C11H12N2O2/c1-8-4-5-10(15-3)9(6-8)13(2)11(14)7-12/h4-6H,1-3H3
InChIKeyWAUOREKTLRDSHE-UHFFFAOYSA-N
XLogP1.49
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyano-N-(2,5-dimethoxyphenyl)-N-methylformamide
CID 115171966
1-cyano-N-methyl-N-(2,4,5-trimethoxyphenyl)formamide
CID 115172074
2-cyano-N-(2-methoxy-5-methylphenyl)-N,3-dimethylbutanamide
CID 115188555
2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 115190160
N-(2-methoxy-5-methylphenyl)-N-methyl-2-(methylamino)acetamide
CID 82494481
3-chloro-N-(2-methoxy-5-methylphenyl)-N-methylpropanamide
CID 115162379
1-cyano-N-(2,5-dichloro-4-methoxyphenyl)-N-methylformamide
CID 115172025
3-(2-methoxy-N,5-dimethylanilino)-2-(methylamino)-3-oxopropanoic acid
CID 115189358
N-ethyl-2-methoxy-N,5-dimethylaniline
CID 58577971
3-amino-4-(2-methoxy-N,5-dimethylanilino)-4-oxobutanoic acid
CID 115181262
2-[N-(carboxymethyl)-2-methoxy-5-methylanilino]acetic acid
CID 94690899
1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one
CID 83822875

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-methoxy-5-methylphenyl)-N-methylformamide?
The IUPAC name of 1-cyano-N-(2-methoxy-5-methylphenyl)-N-methylformamide (CID 115171963) is 1-cyano-N-(2-methoxy-5-methylphenyl)-N-methylformamide.
What is the SMILES notation for 1-cyano-N-(2-methoxy-5-methylphenyl)-N-methylformamide?
The canonical SMILES for 1-cyano-N-(2-methoxy-5-methylphenyl)-N-methylformamide is COc1ccc(C)cc1N(C)C(=O)C#N.
What is the InChIKey of 1-cyano-N-(2-methoxy-5-methylphenyl)-N-methylformamide?
The InChIKey is WAUOREKTLRDSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-4-5-10(15-3)9(6-8)13(2)11(14)7-12/h4-6H,1-3H3.
What are the key properties of 1-cyano-N-(2-methoxy-5-methylphenyl)-N-methylformamide?
1-cyano-N-(2-methoxy-5-methylphenyl)-N-methylformamide has a molecular weight of 204.23 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-methoxy-5-methylphenyl)-N-methylformamide is sourced from PubChem (CID 115171963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).