2-[(E)-hydroxyiminomethyl]benzo[f]chromen-1-one

C14H9NO3 — CID 6885738

IUPAC2-[(E)-hydroxyiminomethyl]benzo[f]chromen-1-one
SMILESO=c1c(/C=N/O)coc2ccc3ccccc3c12
InChIInChI=1S/C14H9NO3/c16-14-10(7-15-17)8-18-12-6-5-9-3-1-2-4-11(9)13(12)14/h1-8,17H/b15-7+
InChIKeyGGRMJYVKBXSQGJ-VIZOYTHASA-N
MW239.23 g/mol
LogP2.75
Rot. Bonds1

About 2-[(E)-hydroxyiminomethyl]benzo[f]chromen-1-one

2-[(E)-hydroxyiminomethyl]benzo[f]chromen-1-one (PubChem CID 6885738) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[(E)-hydroxyiminomethyl]benzo[f]chromen-1-one.

Molecular Properties

Compound Name2-[(E)-hydroxyiminomethyl]benzo[f]chromen-1-one
PubChem CID6885738
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name2-[(E)-hydroxyiminomethyl]benzo[f]chromen-1-one
SMILESO=c1c(/C=N/O)coc2ccc3ccccc3c12
InChIInChI=1S/C14H9NO3/c16-14-10(7-15-17)8-18-12-6-5-9-3-1-2-4-11(9)13(12)14/h1-8,17H/b15-7+
InChIKeyGGRMJYVKBXSQGJ-VIZOYTHASA-N
XLogP2.75
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hydroxyiminomethyl]benzo[f]chromen-1-one?
The IUPAC name of 2-[(E)-hydroxyiminomethyl]benzo[f]chromen-1-one (CID 6885738) is 2-[(E)-hydroxyiminomethyl]benzo[f]chromen-1-one.
What is the SMILES notation for 2-[(E)-hydroxyiminomethyl]benzo[f]chromen-1-one?
The canonical SMILES for 2-[(E)-hydroxyiminomethyl]benzo[f]chromen-1-one is O=c1c(/C=N/O)coc2ccc3ccccc3c12.
What is the InChIKey of 2-[(E)-hydroxyiminomethyl]benzo[f]chromen-1-one?
The InChIKey is GGRMJYVKBXSQGJ-VIZOYTHASA-N. The full InChI is InChI=1S/C14H9NO3/c16-14-10(7-15-17)8-18-12-6-5-9-3-1-2-4-11(9)13(12)14/h1-8,17H/b15-7+.
What are the key properties of 2-[(E)-hydroxyiminomethyl]benzo[f]chromen-1-one?
2-[(E)-hydroxyiminomethyl]benzo[f]chromen-1-one has a molecular weight of 239.23 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 2-[(E)-hydroxyiminomethyl]benzo[f]chromen-1-one is sourced from PubChem (CID 6885738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).