N-but-3-yn-2-yl-5-methylfuran-3-carboxamide

C10H11NO2 — CID 114822800

IUPACN-but-3-yn-2-yl-5-methylfuran-3-carboxamide
SMILESC#CC(C)NC(=O)c1coc(C)c1
InChIInChI=1S/C10H11NO2/c1-4-7(2)11-10(12)9-5-8(3)13-6-9/h1,5-7H,2-3H3,(H,11,12)
InChIKeyZDYKUAUAHSFEAV-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.34
Rot. Bonds2

About N-but-3-yn-2-yl-5-methylfuran-3-carboxamide

N-but-3-yn-2-yl-5-methylfuran-3-carboxamide (PubChem CID 114822800) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is N-but-3-yn-2-yl-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-5-methylfuran-3-carboxamide
PubChem CID114822800
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC NameN-but-3-yn-2-yl-5-methylfuran-3-carboxamide
SMILESC#CC(C)NC(=O)c1coc(C)c1
InChIInChI=1S/C10H11NO2/c1-4-7(2)11-10(12)9-5-8(3)13-6-9/h1,5-7H,2-3H3,(H,11,12)
InChIKeyZDYKUAUAHSFEAV-UHFFFAOYSA-N
XLogP1.34
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-but-3-yn-2-yl-5-methylfuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyanoethyl)-5-methylfuran-3-carboxamide
CID 114820587
N-but-3-yn-2-yl-6-oxopyran-3-carboxamide
CID 114418995
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
N-but-3-yn-2-yl-3-iodobenzamide
CID 114389760
N-but-3-yn-2-yl-1-methyl-2-oxopyridine-4-carboxamide
CID 104919690
N-(1-iodo-3-methylbutan-2-yl)-5-methylfuran-3-carboxamide
CID 107860051
N-but-3-yn-2-yl-5-methylpyridine-3-carboxamide
CID 114390011
N-but-3-yn-2-yl-3-chloro-5-methylbenzamide
CID 114389858
N-but-3-yn-2-yl-1-methylpyrrole-3-carboxamide
CID 131132010
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-methylfuran-3-carboxamide
CID 104979012

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-5-methylfuran-3-carboxamide?
The IUPAC name of N-but-3-yn-2-yl-5-methylfuran-3-carboxamide (CID 114822800) is N-but-3-yn-2-yl-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-but-3-yn-2-yl-5-methylfuran-3-carboxamide?
The canonical SMILES for N-but-3-yn-2-yl-5-methylfuran-3-carboxamide is C#CC(C)NC(=O)c1coc(C)c1.
What is the InChIKey of N-but-3-yn-2-yl-5-methylfuran-3-carboxamide?
The InChIKey is ZDYKUAUAHSFEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-4-7(2)11-10(12)9-5-8(3)13-6-9/h1,5-7H,2-3H3,(H,11,12).
What are the key properties of N-but-3-yn-2-yl-5-methylfuran-3-carboxamide?
N-but-3-yn-2-yl-5-methylfuran-3-carboxamide has a molecular weight of 177.20 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114822800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).