3-(2-oxochromene-3-carbonyl)-1,3-oxazolidin-2-one

C13H9NO5 — CID 102136563

IUPAC3-(2-oxochromene-3-carbonyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C13H9NO5/c15-11(14-5-6-18-13(14)17)9-7-8-3-1-2-4-10(8)19-12(9)16/h1-4,7H,5-6H2
InChIKeyFUCUENSSCXCPPF-UHFFFAOYSA-N
MW259.22 g/mol
LogP1.39
Rot. Bonds1

About 3-(2-oxochromene-3-carbonyl)-1,3-oxazolidin-2-one

3-(2-oxochromene-3-carbonyl)-1,3-oxazolidin-2-one (PubChem CID 102136563) has the molecular formula C13H9NO5 and a molecular weight of 259.22 g/mol. Its IUPAC name is 3-(2-oxochromene-3-carbonyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-oxochromene-3-carbonyl)-1,3-oxazolidin-2-one
PubChem CID102136563
Molecular FormulaC13H9NO5
Molecular Weight259.22 g/mol
Exact Mass259.05
IUPAC Name3-(2-oxochromene-3-carbonyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C13H9NO5/c15-11(14-5-6-18-13(14)17)9-7-8-3-1-2-4-10(8)19-12(9)16/h1-4,7H,5-6H2
InChIKeyFUCUENSSCXCPPF-UHFFFAOYSA-N
XLogP1.39
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2-oxochromene-3-carbonyl)-1,4-diazepane-1-carbonyl]chromen-2-one
CID 1224770
3-(azepane-1-carbonyl)chromen-2-one
CID 716526
2-oxochromene-3-carboxylic acid
CID 161011590
3-(4-cyclopropylpiperazine-1-carbonyl)chromen-2-one
CID 86853717
2-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]chromene-3-carboxamide
CID 110741030
methyl 4-(2-oxochromene-3-carbonyl)piperazine-1-carboxylate
CID 110803234
3-[4-(4-methylbenzoyl)piperazine-1-carbonyl]chromen-2-one
CID 39572437
3-(2-phenylmorpholine-4-carbonyl)chromen-2-one
CID 16894693
3-[4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine-1-carbonyl]chromen-2-one
CID 171911816
3-(2-methylpiperazine-1-carbonyl)chromen-2-one
CID 62672423
(1R,4R)-5-(2-oxochromene-3-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
CID 95985334
3-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]chromen-2-one
CID 62372877

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxochromene-3-carbonyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-oxochromene-3-carbonyl)-1,3-oxazolidin-2-one (CID 102136563) is 3-(2-oxochromene-3-carbonyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-oxochromene-3-carbonyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-oxochromene-3-carbonyl)-1,3-oxazolidin-2-one is O=C1OCCN1C(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of 3-(2-oxochromene-3-carbonyl)-1,3-oxazolidin-2-one?
The InChIKey is FUCUENSSCXCPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO5/c15-11(14-5-6-18-13(14)17)9-7-8-3-1-2-4-10(8)19-12(9)16/h1-4,7H,5-6H2.
What are the key properties of 3-(2-oxochromene-3-carbonyl)-1,3-oxazolidin-2-one?
3-(2-oxochromene-3-carbonyl)-1,3-oxazolidin-2-one has a molecular weight of 259.22 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxochromene-3-carbonyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 102136563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).