6-chloro-3-[1-(hydroxyamino)ethenyl]chromen-2-one

C11H8ClNO3 — CID 2324868

IUPAC6-chloro-3-[1-(hydroxyamino)ethenyl]chromen-2-one
SMILESC=C(NO)c1cc2cc(Cl)ccc2oc1=O
InChIInChI=1S/C11H8ClNO3/c1-6(13-15)9-5-7-4-8(12)2-3-10(7)16-11(9)14/h2-5,13,15H,1H2
InChIKeyXOTFGPCVSKDMLL-UHFFFAOYSA-N
MW237.64 g/mol
LogP2.40
Rot. Bonds2

About 6-chloro-3-[1-(hydroxyamino)ethenyl]chromen-2-one

6-chloro-3-[1-(hydroxyamino)ethenyl]chromen-2-one (PubChem CID 2324868) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is 6-chloro-3-[1-(hydroxyamino)ethenyl]chromen-2-one.

Molecular Properties

Compound Name6-chloro-3-[1-(hydroxyamino)ethenyl]chromen-2-one
PubChem CID2324868
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name6-chloro-3-[1-(hydroxyamino)ethenyl]chromen-2-one
SMILESC=C(NO)c1cc2cc(Cl)ccc2oc1=O
InChIInChI=1S/C11H8ClNO3/c1-6(13-15)9-5-7-4-8(12)2-3-10(7)16-11(9)14/h2-5,13,15H,1H2
InChIKeyXOTFGPCVSKDMLL-UHFFFAOYSA-N
XLogP2.40
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-hydroxychromen-2-one
CID 15339907
6-chloro-N-(3,5-dimethylphenyl)-2-oxochromene-3-carboxamide
CID 100795001
6-chloro-N-(3,4-dichlorophenyl)-2-oxochromene-3-carboxamide
CID 100795015
N-(4-bromo-2-fluorophenyl)-6-chloro-2-oxochromene-3-carboxamide
CID 100795022
6-chloro-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]chromen-2-one
CID 6266245
6-chloro-N-naphthalen-1-yl-2-oxochromene-3-carboxamide
CID 792586
6-chloro-N-(2,3-dimethylphenyl)-2-oxochromene-3-carboxamide
CID 2987293
6-chloro-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 862279
6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxochromene-3-carboxamide
CID 100795033
3-(bromomethyl)-6-chlorochromen-2-one
CID 122396911
(2,5-dichlorophenyl) 6-bromo-2-oxochromene-3-carboxylate
CID 19132910
6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 7223522

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-(hydroxyamino)ethenyl]chromen-2-one?
The IUPAC name of 6-chloro-3-[1-(hydroxyamino)ethenyl]chromen-2-one (CID 2324868) is 6-chloro-3-[1-(hydroxyamino)ethenyl]chromen-2-one.
What is the SMILES notation for 6-chloro-3-[1-(hydroxyamino)ethenyl]chromen-2-one?
The canonical SMILES for 6-chloro-3-[1-(hydroxyamino)ethenyl]chromen-2-one is C=C(NO)c1cc2cc(Cl)ccc2oc1=O.
What is the InChIKey of 6-chloro-3-[1-(hydroxyamino)ethenyl]chromen-2-one?
The InChIKey is XOTFGPCVSKDMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c1-6(13-15)9-5-7-4-8(12)2-3-10(7)16-11(9)14/h2-5,13,15H,1H2.
What are the key properties of 6-chloro-3-[1-(hydroxyamino)ethenyl]chromen-2-one?
6-chloro-3-[1-(hydroxyamino)ethenyl]chromen-2-one has a molecular weight of 237.64 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-(hydroxyamino)ethenyl]chromen-2-one is sourced from PubChem (CID 2324868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).