(2Z)-2-hydroxyiminochromene-3-carboxylic acid

C10H7NO4 — CID 97302642

IUPAC(2Z)-2-hydroxyiminochromene-3-carboxylic acid
SMILESO=C(O)c1cc2ccccc2o/c1=N\O
InChIInChI=1S/C10H7NO4/c12-10(13)7-5-6-3-1-2-4-8(6)15-9(7)11-14/h1-5,14H,(H,12,13)/b11-9-
InChIKeyVLIFFTXTQWUMLQ-LUAWRHEFSA-N
MW205.17 g/mol
LogP1.42
Rot. Bonds1

About (2Z)-2-hydroxyiminochromene-3-carboxylic acid

(2Z)-2-hydroxyiminochromene-3-carboxylic acid (PubChem CID 97302642) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is (2Z)-2-hydroxyiminochromene-3-carboxylic acid.

Molecular Properties

Compound Name(2Z)-2-hydroxyiminochromene-3-carboxylic acid
PubChem CID97302642
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Name(2Z)-2-hydroxyiminochromene-3-carboxylic acid
SMILESO=C(O)c1cc2ccccc2o/c1=N\O
InChIInChI=1S/C10H7NO4/c12-10(13)7-5-6-3-1-2-4-8(6)15-9(7)11-14/h1-5,14H,(H,12,13)/b11-9-
InChIKeyVLIFFTXTQWUMLQ-LUAWRHEFSA-N
XLogP1.42
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-oxochromene-3-carboxylic acid
CID 161011590
2-hydroxyimino-N-(3-methylphenyl)chromene-3-carboxamide
CID 4313217
N-methyl-2-phenyliminochromene-3-carboxamide
CID 826595
2-(1-benzofuran-2-yl)thiophene-3-carboxylic acid
CID 82385837
2-[1-benzofuran-2-carbonyl(methyl)amino]benzoic acid
CID 43823107
1-N,4-N-bis(3-phenylchromen-2-ylidene)benzene-1,4-dicarboxamide
CID 56956594
2-oxobenzo[g]chromene-3-carboxylic acid
CID 11345462
5-(1-benzofuran-2-ylmethyl)-1H-pyrazole-4-carboxylic acid
CID 82377950
[(3-acetylchromen-2-ylidene)amino]thiourea
CID 123442126
2-(3,5-difluorophenyl)imino-N-phenylchromene-3-carboxamide
CID 51367987
2-(benzenesulfonylhydrazinylidene)-N-phenylchromene-3-carboxamide
CID 2141222
3-[(2S,3R)-3-phenyloxirane-2-carbonyl]chromen-2-one
CID 11231641

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hydroxyiminochromene-3-carboxylic acid?
The IUPAC name of (2Z)-2-hydroxyiminochromene-3-carboxylic acid (CID 97302642) is (2Z)-2-hydroxyiminochromene-3-carboxylic acid.
What is the SMILES notation for (2Z)-2-hydroxyiminochromene-3-carboxylic acid?
The canonical SMILES for (2Z)-2-hydroxyiminochromene-3-carboxylic acid is O=C(O)c1cc2ccccc2o/c1=N\O.
What is the InChIKey of (2Z)-2-hydroxyiminochromene-3-carboxylic acid?
The InChIKey is VLIFFTXTQWUMLQ-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H7NO4/c12-10(13)7-5-6-3-1-2-4-8(6)15-9(7)11-14/h1-5,14H,(H,12,13)/b11-9-.
What are the key properties of (2Z)-2-hydroxyiminochromene-3-carboxylic acid?
(2Z)-2-hydroxyiminochromene-3-carboxylic acid has a molecular weight of 205.17 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyiminochromene-3-carboxylic acid is sourced from PubChem (CID 97302642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).