4-[(E)-hydroxyiminomethyl]chromen-2-one

C10H7NO3 — CID 15358086

IUPAC4-[(E)-hydroxyiminomethyl]chromen-2-one
SMILESO=c1cc(/C=N/O)c2ccccc2o1
InChIInChI=1S/C10H7NO3/c12-10-5-7(6-11-13)8-3-1-2-4-9(8)14-10/h1-6,13H/b11-6+
InChIKeyABNLTBRHOKWTLX-IZZDOVSWSA-N
MW189.17 g/mol
LogP1.60
Rot. Bonds1

About 4-[(E)-hydroxyiminomethyl]chromen-2-one

4-[(E)-hydroxyiminomethyl]chromen-2-one (PubChem CID 15358086) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 4-[(E)-hydroxyiminomethyl]chromen-2-one.

Molecular Properties

Compound Name4-[(E)-hydroxyiminomethyl]chromen-2-one
PubChem CID15358086
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name4-[(E)-hydroxyiminomethyl]chromen-2-one
SMILESO=c1cc(/C=N/O)c2ccccc2o1
InChIInChI=1S/C10H7NO3/c12-10-5-7(6-11-13)8-3-1-2-4-9(8)14-10/h1-6,13H/b11-6+
InChIKeyABNLTBRHOKWTLX-IZZDOVSWSA-N
XLogP1.60
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.60
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'}

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Related Compounds

4-(4-hydroxyphenyl)chromen-2-one
CID 87209427
4-prop-2-enylchromen-2-one
CID 87576645
dimethyltin;4-methylchromen-2-one
CID 175284443
4-[(E)-2-(2-prop-2-ynoxyphenyl)ethenyl]chromen-2-one
CID 164665649
4-(1,2-dihydroxyethyl)chromen-2-one
CID 175926732
(2-oxochromen-4-yl)methylphosphonic acid
CID 138756323
N-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydroxylamine
CID 57355898
4-(2-chloroprop-2-enylsulfanyl)chromen-2-one
CID 12995365
4-(2-hydroxyethylsulfanyl)chromen-2-one
CID 119082990
1,1-diaminourea;4-methylchromen-2-one
CID 174896620
5-hydroxychromen-2-one
CID 5318179
4-ethoxychromen-2-one
CID 688703

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-hydroxyiminomethyl]chromen-2-one?
The IUPAC name of 4-[(E)-hydroxyiminomethyl]chromen-2-one (CID 15358086) is 4-[(E)-hydroxyiminomethyl]chromen-2-one.
What is the SMILES notation for 4-[(E)-hydroxyiminomethyl]chromen-2-one?
The canonical SMILES for 4-[(E)-hydroxyiminomethyl]chromen-2-one is O=c1cc(/C=N/O)c2ccccc2o1.
What is the InChIKey of 4-[(E)-hydroxyiminomethyl]chromen-2-one?
The InChIKey is ABNLTBRHOKWTLX-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H7NO3/c12-10-5-7(6-11-13)8-3-1-2-4-9(8)14-10/h1-6,13H/b11-6+.
What are the key properties of 4-[(E)-hydroxyiminomethyl]chromen-2-one?
4-[(E)-hydroxyiminomethyl]chromen-2-one has a molecular weight of 189.17 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-hydroxyiminomethyl]chromen-2-one is sourced from PubChem (CID 15358086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).