2-hydroxyimino-3,4-dihydronaphthalen-1-one

C10H9NO2 — CID 6813148

IUPAC2-hydroxyimino-3,4-dihydronaphthalen-1-one
SMILESO=C1C(=NO)CCc2ccccc21
InChIInChI=1S/C10H9NO2/c12-10-8-4-2-1-3-7(8)5-6-9(10)11-13/h1-4,13H,5-6H2
InChIKeyCMBOOGVJHNRHQC-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.65
Rot. Bonds

About 2-hydroxyimino-3,4-dihydronaphthalen-1-one

2-hydroxyimino-3,4-dihydronaphthalen-1-one (PubChem CID 6813148) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-hydroxyimino-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name2-hydroxyimino-3,4-dihydronaphthalen-1-one
PubChem CID6813148
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name2-hydroxyimino-3,4-dihydronaphthalen-1-one
SMILESO=C1C(=NO)CCc2ccccc21
InChIInChI=1S/C10H9NO2/c12-10-8-4-2-1-3-7(8)5-6-9(10)11-13/h1-4,13H,5-6H2
InChIKeyCMBOOGVJHNRHQC-UHFFFAOYSA-N
XLogP1.65
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.65
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-hydroxyimino-3,4-dihydronaphthalen-1-one?
The IUPAC name of 2-hydroxyimino-3,4-dihydronaphthalen-1-one (CID 6813148) is 2-hydroxyimino-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 2-hydroxyimino-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 2-hydroxyimino-3,4-dihydronaphthalen-1-one is O=C1C(=NO)CCc2ccccc21.
What is the InChIKey of 2-hydroxyimino-3,4-dihydronaphthalen-1-one?
The InChIKey is CMBOOGVJHNRHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-10-8-4-2-1-3-7(8)5-6-9(10)11-13/h1-4,13H,5-6H2.
What are the key properties of 2-hydroxyimino-3,4-dihydronaphthalen-1-one?
2-hydroxyimino-3,4-dihydronaphthalen-1-one has a molecular weight of 175.19 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 6813148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).