2-oxo-N-pent-4-yn-2-ylchromene-3-carboxamide

C15H13NO3 — CID 115661722

IUPAC2-oxo-N-pent-4-yn-2-ylchromene-3-carboxamide
SMILESC#CCC(C)NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C15H13NO3/c1-3-6-10(2)16-14(17)12-9-11-7-4-5-8-13(11)19-15(12)18/h1,4-5,7-10H,6H2,2H3,(H,16,17)
InChIKeyVLGWFVKQNYMLKR-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.93
Rot. Bonds3

About 2-oxo-N-pent-4-yn-2-ylchromene-3-carboxamide

2-oxo-N-pent-4-yn-2-ylchromene-3-carboxamide (PubChem CID 115661722) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-oxo-N-pent-4-yn-2-ylchromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-pent-4-yn-2-ylchromene-3-carboxamide
PubChem CID115661722
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name2-oxo-N-pent-4-yn-2-ylchromene-3-carboxamide
SMILESC#CCC(C)NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C15H13NO3/c1-3-6-10(2)16-14(17)12-9-11-7-4-5-8-13(11)19-15(12)18/h1,4-5,7-10H,6H2,2H3,(H,16,17)
InChIKeyVLGWFVKQNYMLKR-UHFFFAOYSA-N
XLogP1.93
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-2-oxochromene-3-carboxamide
CID 79255030
(2R)-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]pentanoic acid
CID 119363439
2-oxo-N-(1-pyridin-3-ylpropan-2-yl)chromene-3-carboxamide
CID 171388211
2-[(2-oxochromene-3-carbonyl)amino]butanoic acid
CID 43469616
2-oxo-N-[(1R)-1-phenylpropyl]chromene-3-carboxamide
CID 40635761
N-[1-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 4917419
N-(1-amino-4-methylpentan-2-yl)-2-oxochromene-3-carboxamide;hydrochloride
CID 119586750
N-[1-(4-ethylphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 17326877
2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide
CID 2970214
N-(2-methyl-1-thiophen-2-ylpropyl)-2-oxochromene-3-carboxamide
CID 46692009
3-methoxy-2-[(2-oxochromene-3-carbonyl)amino]propanoic acid
CID 81084500
N-[(1R)-1-(4-methylphenyl)propyl]-2-oxochromene-3-carboxamide
CID 9297376

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-pent-4-yn-2-ylchromene-3-carboxamide?
The IUPAC name of 2-oxo-N-pent-4-yn-2-ylchromene-3-carboxamide (CID 115661722) is 2-oxo-N-pent-4-yn-2-ylchromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-pent-4-yn-2-ylchromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-pent-4-yn-2-ylchromene-3-carboxamide is C#CCC(C)NC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-pent-4-yn-2-ylchromene-3-carboxamide?
The InChIKey is VLGWFVKQNYMLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-3-6-10(2)16-14(17)12-9-11-7-4-5-8-13(11)19-15(12)18/h1,4-5,7-10H,6H2,2H3,(H,16,17).
What are the key properties of 2-oxo-N-pent-4-yn-2-ylchromene-3-carboxamide?
2-oxo-N-pent-4-yn-2-ylchromene-3-carboxamide has a molecular weight of 255.27 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-pent-4-yn-2-ylchromene-3-carboxamide is sourced from PubChem (CID 115661722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).