N-(2-cyanoethyl)-N,5-dimethylfuran-2-carboxamide

C10H12N2O2 — CID 28780453

IUPACN-(2-cyanoethyl)-N,5-dimethylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N(C)CCC#N)o1
InChIInChI=1S/C10H12N2O2/c1-8-4-5-9(14-8)10(13)12(2)7-3-6-11/h4-5H,3,7H2,1-2H3
InChIKeyWERGORYSIGQVAS-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.57
Rot. Bonds3

About N-(2-cyanoethyl)-N,5-dimethylfuran-2-carboxamide

N-(2-cyanoethyl)-N,5-dimethylfuran-2-carboxamide (PubChem CID 28780453) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N,5-dimethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N,5-dimethylfuran-2-carboxamide
PubChem CID28780453
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC NameN-(2-cyanoethyl)-N,5-dimethylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N(C)CCC#N)o1
InChIInChI=1S/C10H12N2O2/c1-8-4-5-9(14-8)10(13)12(2)7-3-6-11/h4-5H,3,7H2,1-2H3
InChIKeyWERGORYSIGQVAS-UHFFFAOYSA-N
XLogP1.57
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2-cyanoethyl)-N-methylfuran-2-carboxamide
CID 51075676
N-(2-cyanoethyl)-5-ethyl-N-methylfuran-2-carboxamide
CID 112726763
N-(2-cyanoethyl)-N-(2-methoxyethyl)-5-methylfuran-2-carboxamide
CID 55169420
N-(5-aminopentyl)-N,5-dimethylfuran-2-carboxamide
CID 107206681
N-(2-cyanoethyl)-N-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 78796865
N-(2-cyanoethyl)-N,3,4-trimethylbenzamide
CID 2215664
5-[2-cyanoethyl(methyl)carbamoyl]furan-3-carboxylic acid
CID 104607071
3-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 115173902
N-(2-cyanoethyl)-3,5-dihydroxy-N-methylbenzamide
CID 103892231
N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 43214055
2-bromo-N-(2-cyanoethyl)-N,5-dimethylbenzamide
CID 80977004
3-[2-cyanoethyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369125

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N,5-dimethylfuran-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N,5-dimethylfuran-2-carboxamide (CID 28780453) is N-(2-cyanoethyl)-N,5-dimethylfuran-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N,5-dimethylfuran-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N,5-dimethylfuran-2-carboxamide is Cc1ccc(C(=O)N(C)CCC#N)o1.
What is the InChIKey of N-(2-cyanoethyl)-N,5-dimethylfuran-2-carboxamide?
The InChIKey is WERGORYSIGQVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-8-4-5-9(14-8)10(13)12(2)7-3-6-11/h4-5H,3,7H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N,5-dimethylfuran-2-carboxamide?
N-(2-cyanoethyl)-N,5-dimethylfuran-2-carboxamide has a molecular weight of 192.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N,5-dimethylfuran-2-carboxamide is sourced from PubChem (CID 28780453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).