N-(2-methylbut-3-yn-2-yl)furan-3-carboxamide

C10H11NO2 — CID 63998131

IUPACN-(2-methylbut-3-yn-2-yl)furan-3-carboxamide
SMILESC#CC(C)(C)NC(=O)c1ccoc1
InChIInChI=1S/C10H11NO2/c1-4-10(2,3)11-9(12)8-5-6-13-7-8/h1,5-7H,2-3H3,(H,11,12)
InChIKeyFDRIQNPNKIOOLS-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.42
Rot. Bonds2

About N-(2-methylbut-3-yn-2-yl)furan-3-carboxamide

N-(2-methylbut-3-yn-2-yl)furan-3-carboxamide (PubChem CID 63998131) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is N-(2-methylbut-3-yn-2-yl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylbut-3-yn-2-yl)furan-3-carboxamide
PubChem CID63998131
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC NameN-(2-methylbut-3-yn-2-yl)furan-3-carboxamide
SMILESC#CC(C)(C)NC(=O)c1ccoc1
InChIInChI=1S/C10H11NO2/c1-4-10(2,3)11-9(12)8-5-6-13-7-8/h1,5-7H,2-3H3,(H,11,12)
InChIKeyFDRIQNPNKIOOLS-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(furan-3-carbonylamino)-2-methylpropanoic acid
CID 61262985
N-(4-hydroxy-2-methylbutan-2-yl)furan-3-carboxamide
CID 115869863
N-(1-bromo-2-methylbutan-2-yl)furan-3-carboxamide
CID 114314292
3,5-dibromo-N-(2-methylbut-3-yn-2-yl)benzamide
CID 103908693
3,4,5-trichloro-N-(2-methylbut-3-yn-2-yl)benzamide
CID 71357884
N-(1-chloro-3-methylpentan-3-yl)furan-3-carboxamide
CID 106168112
3-amino-4-methyl-N-(2-methylbut-3-yn-2-yl)benzamide
CID 63999081
tert-butyl N-(furan-3-carbonyl)carbamate
CID 176560288
(furan-3-carbonylamino) 2,2-dimethylpropanoate
CID 170986081
N-chlorofuran-3-carboxamide
CID 144607311
N-methoxyfuran-3-carboxamide
CID 60701103
1-(furan-3-yl)-2-hydroxy-2-methylpropan-1-one
CID 15504484

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbut-3-yn-2-yl)furan-3-carboxamide?
The IUPAC name of N-(2-methylbut-3-yn-2-yl)furan-3-carboxamide (CID 63998131) is N-(2-methylbut-3-yn-2-yl)furan-3-carboxamide.
What is the SMILES notation for N-(2-methylbut-3-yn-2-yl)furan-3-carboxamide?
The canonical SMILES for N-(2-methylbut-3-yn-2-yl)furan-3-carboxamide is C#CC(C)(C)NC(=O)c1ccoc1.
What is the InChIKey of N-(2-methylbut-3-yn-2-yl)furan-3-carboxamide?
The InChIKey is FDRIQNPNKIOOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-4-10(2,3)11-9(12)8-5-6-13-7-8/h1,5-7H,2-3H3,(H,11,12).
What are the key properties of N-(2-methylbut-3-yn-2-yl)furan-3-carboxamide?
N-(2-methylbut-3-yn-2-yl)furan-3-carboxamide has a molecular weight of 177.20 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbut-3-yn-2-yl)furan-3-carboxamide is sourced from PubChem (CID 63998131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).