N-(1-benzofuran-3-yl)-3-cyano-N-methylpropanamide

C13H12N2O2 — CID 115173717

IUPACN-(1-benzofuran-3-yl)-3-cyano-N-methylpropanamide
SMILESCN(C(=O)CCC#N)c1coc2ccccc12
InChIInChI=1S/C13H12N2O2/c1-15(13(16)7-4-8-14)11-9-17-12-6-3-2-5-10(11)12/h2-3,5-6,9H,4,7H2,1H3
InChIKeyYEEDKDKQWQZMSV-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.70
Rot. Bonds3

About N-(1-benzofuran-3-yl)-3-cyano-N-methylpropanamide

N-(1-benzofuran-3-yl)-3-cyano-N-methylpropanamide (PubChem CID 115173717) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-(1-benzofuran-3-yl)-3-cyano-N-methylpropanamide.

Molecular Properties

Compound NameN-(1-benzofuran-3-yl)-3-cyano-N-methylpropanamide
PubChem CID115173717
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC NameN-(1-benzofuran-3-yl)-3-cyano-N-methylpropanamide
SMILESCN(C(=O)CCC#N)c1coc2ccccc12
InChIInChI=1S/C13H12N2O2/c1-15(13(16)7-4-8-14)11-9-17-12-6-3-2-5-10(11)12/h2-3,5-6,9H,4,7H2,1H3
InChIKeyYEEDKDKQWQZMSV-UHFFFAOYSA-N
XLogP2.70
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-benzofuran-3-yl(methyl)amino]acetonitrile
CID 115130924
N-(1-benzofuran-3-yl)-2-cyano-N,3-dimethylbutanamide
CID 115188587
3-[1-benzofuran-3-yl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 115164001
5-[1-benzofuran-3-yl(methyl)amino]pentan-2-one
CID 115236413
3-cyano-N-(2,4-dichlorophenyl)-N-methylpropanamide
CID 115173703
N-(4-tert-butyl-2-methylphenyl)-3-cyano-N-methylpropanamide
CID 115173683
N'-(1-benzofuran-3-yl)-N'-methylmethanediamine
CID 115225641
N-(5-tert-butyl-2-methylphenyl)-3-cyano-N-methylpropanamide
CID 115173625
2-(1-benzofuran-3-yl)-N-methyl-N-phenylacetamide
CID 110856943
3-(1-benzofuran-3-yl)-3-(dimethylamino)propanenitrile
CID 116909994
3-cyano-N-(3-fluorophenyl)-N-methylpropanamide
CID 115173707
N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115139234

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-yl)-3-cyano-N-methylpropanamide?
The IUPAC name of N-(1-benzofuran-3-yl)-3-cyano-N-methylpropanamide (CID 115173717) is N-(1-benzofuran-3-yl)-3-cyano-N-methylpropanamide.
What is the SMILES notation for N-(1-benzofuran-3-yl)-3-cyano-N-methylpropanamide?
The canonical SMILES for N-(1-benzofuran-3-yl)-3-cyano-N-methylpropanamide is CN(C(=O)CCC#N)c1coc2ccccc12.
What is the InChIKey of N-(1-benzofuran-3-yl)-3-cyano-N-methylpropanamide?
The InChIKey is YEEDKDKQWQZMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-15(13(16)7-4-8-14)11-9-17-12-6-3-2-5-10(11)12/h2-3,5-6,9H,4,7H2,1H3.
What are the key properties of N-(1-benzofuran-3-yl)-3-cyano-N-methylpropanamide?
N-(1-benzofuran-3-yl)-3-cyano-N-methylpropanamide has a molecular weight of 228.25 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-yl)-3-cyano-N-methylpropanamide is sourced from PubChem (CID 115173717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).