2-hydroxyiminoacenaphthylen-1-one

C12H7NO2 — CID 6791299

IUPAC2-hydroxyiminoacenaphthylen-1-one
SMILESO=C1C(=NO)c2cccc3cccc1c23
InChIInChI=1S/C12H7NO2/c14-12-9-6-2-4-7-3-1-5-8(10(7)9)11(12)13-15/h1-6,15H
InChIKeyCALLKFAYYAULSN-UHFFFAOYSA-N
MW197.19 g/mol
LogP2.21
Rot. Bonds

About 2-hydroxyiminoacenaphthylen-1-one

2-hydroxyiminoacenaphthylen-1-one (PubChem CID 6791299) has the molecular formula C12H7NO2 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-hydroxyiminoacenaphthylen-1-one.

Molecular Properties

Compound Name2-hydroxyiminoacenaphthylen-1-one
PubChem CID6791299
Molecular FormulaC12H7NO2
Molecular Weight197.19 g/mol
Exact Mass197.05
IUPAC Name2-hydroxyiminoacenaphthylen-1-one
SMILESO=C1C(=NO)c2cccc3cccc1c23
InChIInChI=1S/C12H7NO2/c14-12-9-6-2-4-7-3-1-5-8(10(7)9)11(12)13-15/h1-6,15H
InChIKeyCALLKFAYYAULSN-UHFFFAOYSA-N
XLogP2.21
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyiminoacenaphthylen-1-one?
The IUPAC name of 2-hydroxyiminoacenaphthylen-1-one (CID 6791299) is 2-hydroxyiminoacenaphthylen-1-one.
What is the SMILES notation for 2-hydroxyiminoacenaphthylen-1-one?
The canonical SMILES for 2-hydroxyiminoacenaphthylen-1-one is O=C1C(=NO)c2cccc3cccc1c23.
What is the InChIKey of 2-hydroxyiminoacenaphthylen-1-one?
The InChIKey is CALLKFAYYAULSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO2/c14-12-9-6-2-4-7-3-1-5-8(10(7)9)11(12)13-15/h1-6,15H.
What are the key properties of 2-hydroxyiminoacenaphthylen-1-one?
2-hydroxyiminoacenaphthylen-1-one has a molecular weight of 197.19 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyiminoacenaphthylen-1-one is sourced from PubChem (CID 6791299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).