N-(1-cyanoethyl)-5-methylfuran-3-carboxamide

C9H10N2O2 — CID 114820587

IUPACN-(1-cyanoethyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC(C)C#N)co1
InChIInChI=1S/C9H10N2O2/c1-6(4-10)11-9(12)8-3-7(2)13-5-8/h3,5-6H,1-2H3,(H,11,12)
InChIKeyPLTQJFOMEKHHLU-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.23
Rot. Bonds2

About N-(1-cyanoethyl)-5-methylfuran-3-carboxamide

N-(1-cyanoethyl)-5-methylfuran-3-carboxamide (PubChem CID 114820587) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is N-(1-cyanoethyl)-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-5-methylfuran-3-carboxamide
PubChem CID114820587
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC NameN-(1-cyanoethyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC(C)C#N)co1
InChIInChI=1S/C9H10N2O2/c1-6(4-10)11-9(12)8-3-7(2)13-5-8/h3,5-6H,1-2H3,(H,11,12)
InChIKeyPLTQJFOMEKHHLU-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-but-3-yn-2-yl-5-methylfuran-3-carboxamide
CID 114822800
5-methyl-N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 114820799
(2R)-3-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid
CID 1273432
N-(4-bromobutan-2-yl)-5-methylfuran-3-carboxamide
CID 114823351
3-chloro-N-(1-cyanoethyl)-5-methylbenzamide
CID 81007451
N-(1-iodo-3-methylbutan-2-yl)-5-methylfuran-3-carboxamide
CID 107860051
N-(1-cyanoethyl)-4-methoxybenzamide
CID 61119459
N-(1-cyanoethyl)-3-methylfuran-2-carboxamide
CID 61121242
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-5-methylfuran-3-carboxamide
CID 114820763
3-chloro-N-(1-cyanoethyl)-4-methylbenzamide
CID 63195497
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-methylfuran-3-carboxamide
CID 104979012
N-(1-cyanoethyl)pyrimidine-5-carboxamide
CID 104626690

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-5-methylfuran-3-carboxamide?
The IUPAC name of N-(1-cyanoethyl)-5-methylfuran-3-carboxamide (CID 114820587) is N-(1-cyanoethyl)-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(1-cyanoethyl)-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(1-cyanoethyl)-5-methylfuran-3-carboxamide is Cc1cc(C(=O)NC(C)C#N)co1.
What is the InChIKey of N-(1-cyanoethyl)-5-methylfuran-3-carboxamide?
The InChIKey is PLTQJFOMEKHHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-6(4-10)11-9(12)8-3-7(2)13-5-8/h3,5-6H,1-2H3,(H,11,12).
What are the key properties of N-(1-cyanoethyl)-5-methylfuran-3-carboxamide?
N-(1-cyanoethyl)-5-methylfuran-3-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)-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114820587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).