N-but-3-yn-2-yl-6-oxopyran-3-carboxamide

C10H9NO3 — CID 114418995

IUPACN-but-3-yn-2-yl-6-oxopyran-3-carboxamide
SMILESC#CC(C)NC(=O)c1ccc(=O)oc1
InChIInChI=1S/C10H9NO3/c1-3-7(2)11-10(13)8-4-5-9(12)14-6-8/h1,4-7H,2H3,(H,11,13)
InChIKeyIFDPCWDCNQLPIX-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.39
Rot. Bonds2

About N-but-3-yn-2-yl-6-oxopyran-3-carboxamide

N-but-3-yn-2-yl-6-oxopyran-3-carboxamide (PubChem CID 114418995) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is N-but-3-yn-2-yl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-6-oxopyran-3-carboxamide
PubChem CID114418995
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC NameN-but-3-yn-2-yl-6-oxopyran-3-carboxamide
SMILESC#CC(C)NC(=O)c1ccc(=O)oc1
InChIInChI=1S/C10H9NO3/c1-3-7(2)11-10(13)8-4-5-9(12)14-6-8/h1,4-7H,2H3,(H,11,13)
InChIKeyIFDPCWDCNQLPIX-UHFFFAOYSA-N
XLogP0.39
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-yn-2-yl-5-methylfuran-3-carboxamide
CID 114822800
N-but-3-yn-2-yl-1-methyl-2-oxopyridine-4-carboxamide
CID 104919690
N-but-3-yn-2-yl-6-oxo-1H-pyridine-3-carboxamide
CID 114389718
N-but-3-yn-2-yl-4-(trifluoromethyl)benzamide
CID 114390042
N-but-3-yn-2-yl-1-methylpyrrole-3-carboxamide
CID 131132010
6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide
CID 114416382
4-(2-aminoethyl)-N-but-3-yn-2-ylbenzamide
CID 114417205
N-(3-hydroxybutyl)-6-oxopyran-3-carboxamide
CID 64911371
2-methyl-3-[(6-oxopyran-3-carbonyl)amino]propanoic acid
CID 62675301
3-bromo-N-but-3-yn-2-ylfuran-2-carboxamide
CID 130659208
N-but-3-yn-2-yl-4-fluoro-3-sulfanylbenzamide
CID 107036265
N-but-3-yn-2-yl-3-iodobenzamide
CID 114389760

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-6-oxopyran-3-carboxamide?
The IUPAC name of N-but-3-yn-2-yl-6-oxopyran-3-carboxamide (CID 114418995) is N-but-3-yn-2-yl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-but-3-yn-2-yl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-but-3-yn-2-yl-6-oxopyran-3-carboxamide is C#CC(C)NC(=O)c1ccc(=O)oc1.
What is the InChIKey of N-but-3-yn-2-yl-6-oxopyran-3-carboxamide?
The InChIKey is IFDPCWDCNQLPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-3-7(2)11-10(13)8-4-5-9(12)14-6-8/h1,4-7H,2H3,(H,11,13).
What are the key properties of N-but-3-yn-2-yl-6-oxopyran-3-carboxamide?
N-but-3-yn-2-yl-6-oxopyran-3-carboxamide has a molecular weight of 191.19 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 114418995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).