N-(1-cyanoethyl)-3-methylfuran-2-carboxamide

C9H10N2O2 — CID 61121242

IUPACN-(1-cyanoethyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC(C)C#N
InChIInChI=1S/C9H10N2O2/c1-6-3-4-13-8(6)9(12)11-7(2)5-10/h3-4,7H,1-2H3,(H,11,12)
InChIKeyKBTLGFQATFLJBU-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.23
Rot. Bonds2

About N-(1-cyanoethyl)-3-methylfuran-2-carboxamide

N-(1-cyanoethyl)-3-methylfuran-2-carboxamide (PubChem CID 61121242) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is N-(1-cyanoethyl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-3-methylfuran-2-carboxamide
PubChem CID61121242
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC NameN-(1-cyanoethyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC(C)C#N
InChIInChI=1S/C9H10N2O2/c1-6-3-4-13-8(6)9(12)11-7(2)5-10/h3-4,7H,1-2H3,(H,11,12)
InChIKeyKBTLGFQATFLJBU-UHFFFAOYSA-N
XLogP1.23
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-3-methylfuran-2-carboxamide
CID 79252738
N-(cyanomethyl)-3-methylfuran-2-carboxamide
CID 60893946
N-(1-hydroxy-4-methylpentan-2-yl)-3-methylfuran-2-carboxamide
CID 61247341
N-(1-amino-4-methylpentan-3-yl)-3-methylfuran-2-carboxamide
CID 106356722
N-(1-cyanoethyl)-5-methylfuran-3-carboxamide
CID 114820587
2-[(3-methylfuran-2-carbonyl)amino]-3-sulfanylpropanoic acid
CID 16776859
3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide
CID 43054971
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-methylfuran-2-carboxamide
CID 95158199
N-(1-cyanoethyl)-2,3-dimethylbenzamide
CID 61121435
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide
CID 103855919
3-methyl-N-[2-methyl-3-(methylamino)propyl]furan-2-carboxamide
CID 81479014
(2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30049147

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-3-methylfuran-2-carboxamide?
The IUPAC name of N-(1-cyanoethyl)-3-methylfuran-2-carboxamide (CID 61121242) is N-(1-cyanoethyl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(1-cyanoethyl)-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(1-cyanoethyl)-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NC(C)C#N.
What is the InChIKey of N-(1-cyanoethyl)-3-methylfuran-2-carboxamide?
The InChIKey is KBTLGFQATFLJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-6-3-4-13-8(6)9(12)11-7(2)5-10/h3-4,7H,1-2H3,(H,11,12).
What are the key properties of N-(1-cyanoethyl)-3-methylfuran-2-carboxamide?
N-(1-cyanoethyl)-3-methylfuran-2-carboxamide has a molecular weight of 178.19 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 61121242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).