N-(2-cyanoethyl)-5-methylfuran-3-carboxamide

C9H10N2O2 — CID 114820618

IUPACN-(2-cyanoethyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCC#N)co1
InChIInChI=1S/C9H10N2O2/c1-7-5-8(6-13-7)9(12)11-4-2-3-10/h5-6H,2,4H2,1H3,(H,11,12)
InChIKeyVIKAILQXBLNXPM-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.23
Rot. Bonds3

About N-(2-cyanoethyl)-5-methylfuran-3-carboxamide

N-(2-cyanoethyl)-5-methylfuran-3-carboxamide (PubChem CID 114820618) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is N-(2-cyanoethyl)-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-5-methylfuran-3-carboxamide
PubChem CID114820618
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC NameN-(2-cyanoethyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCC#N)co1
InChIInChI=1S/C9H10N2O2/c1-7-5-8(6-13-7)9(12)11-4-2-3-10/h5-6H,2,4H2,1H3,(H,11,12)
InChIKeyVIKAILQXBLNXPM-UHFFFAOYSA-N
XLogP1.23
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-pent-3-ynylfuran-3-carboxamide
CID 114822799
5-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide
CID 114819329
N-(5-hydroxypentyl)-5-methylfuran-3-carboxamide
CID 107319220
3,5-dibromo-N-(2-cyanoethyl)benzamide
CID 107168327
N-(2-cyanoethyl)-2,4,6-trimethylbenzamide
CID 62666565
2-methyl-5-[(5-methylfuran-3-carbonyl)amino]pentanoic acid
CID 114819196
N-[(3-cyanophenyl)methyl]-5-methylfuran-3-carboxamide
CID 114820614
N-(2-bromoprop-2-enyl)-5-methylfuran-3-carboxamide
CID 114821704
N-(1-cyanoethyl)-5-methylfuran-3-carboxamide
CID 114820587
N-(2-cyanoethyl)-N-cyclopropyl-5-methylfuran-3-carboxamide
CID 114820604
N-[3-(2-chloroethoxy)propyl]-5-methylfuran-3-carboxamide
CID 106306849
N-[2-(2-chlorophenoxy)ethyl]-5-methylfuran-3-carboxamide
CID 3150911

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-5-methylfuran-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-5-methylfuran-3-carboxamide (CID 114820618) is N-(2-cyanoethyl)-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-5-methylfuran-3-carboxamide is Cc1cc(C(=O)NCCC#N)co1.
What is the InChIKey of N-(2-cyanoethyl)-5-methylfuran-3-carboxamide?
The InChIKey is VIKAILQXBLNXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-7-5-8(6-13-7)9(12)11-4-2-3-10/h5-6H,2,4H2,1H3,(H,11,12).
What are the key properties of N-(2-cyanoethyl)-5-methylfuran-3-carboxamide?
N-(2-cyanoethyl)-5-methylfuran-3-carboxamide has a molecular weight of 178.19 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114820618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).