6-bromo-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one

C11H8BrNO3 — CID 5417935

IUPAC6-bromo-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one
SMILESC/C(=N/O)c1cc2cc(Br)ccc2oc1=O
InChIInChI=1S/C11H8BrNO3/c1-6(13-15)9-5-7-4-8(12)2-3-10(7)16-11(9)14/h2-5,15H,1H3/b13-6-
InChIKeyRKYDEELLDNWAII-MLPAPPSSSA-N
MW282.09 g/mol
LogP2.75
Rot. Bonds1

About 6-bromo-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one

6-bromo-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one (PubChem CID 5417935) has the molecular formula C11H8BrNO3 and a molecular weight of 282.09 g/mol. Its IUPAC name is 6-bromo-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one.

Molecular Properties

Compound Name6-bromo-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one
PubChem CID5417935
Molecular FormulaC11H8BrNO3
Molecular Weight282.09 g/mol
Exact Mass280.97
IUPAC Name6-bromo-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one
SMILESC/C(=N/O)c1cc2cc(Br)ccc2oc1=O
InChIInChI=1S/C11H8BrNO3/c1-6(13-15)9-5-7-4-8(12)2-3-10(7)16-11(9)14/h2-5,15H,1H3/b13-6-
InChIKeyRKYDEELLDNWAII-MLPAPPSSSA-N
XLogP2.75
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.09
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-bromo-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-3-[(E)-N-(3,4-dimethylanilino)-C-methylcarbonimidoyl]chromen-2-one
CID 7295867
4-[(2E)-2-[1-(6-bromo-2-oxochromen-3-yl)ethylidene]hydrazinyl]benzenesulfonamide
CID 127052276
7-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one
CID 135576755
ethyl 6-bromo-2-oxochromene-3-carboxylate
CID 691747
6-bromo-3-methylchromen-2-one
CID 14956088
6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide
CID 1111853
3-(2-azidoacetyl)-6-bromochromen-2-one
CID 11472323
6-bromo-3-ethylchromen-2-one
CID 53243812
6-bromo-2-oxo-N-phenylchromene-3-carboxamide
CID 747661
3-[C-methyl-N-[2-[1-(2-oxochromen-3-yl)ethylideneamino]ethyl]carbonimidoyl]chromen-2-one
CID 50741694
[N,N'-di(propan-2-yl)carbamimidoyl] 6-bromo-2-oxochromene-3-carboxylate
CID 100953043
6-bromo-N'-(2-chlorobenzoyl)-2-oxochromene-3-carbohydrazide
CID 19133244

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one?
The IUPAC name of 6-bromo-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one (CID 5417935) is 6-bromo-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one.
What is the SMILES notation for 6-bromo-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one?
The canonical SMILES for 6-bromo-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one is C/C(=N/O)c1cc2cc(Br)ccc2oc1=O.
What is the InChIKey of 6-bromo-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one?
The InChIKey is RKYDEELLDNWAII-MLPAPPSSSA-N. The full InChI is InChI=1S/C11H8BrNO3/c1-6(13-15)9-5-7-4-8(12)2-3-10(7)16-11(9)14/h2-5,15H,1H3/b13-6-.
What are the key properties of 6-bromo-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one?
6-bromo-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one has a molecular weight of 282.09 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one is sourced from PubChem (CID 5417935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).