(8E)-8-hydroxyimino-6,7-dihydro-5H-naphthalene-2-carboxylic acid

C11H11NO3 — CID 14756548

IUPAC(8E)-8-hydroxyimino-6,7-dihydro-5H-naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)/C(=N/O)CCC2
InChIInChI=1S/C11H11NO3/c13-11(14)8-5-4-7-2-1-3-10(12-15)9(7)6-8/h4-6,15H,1-3H2,(H,13,14)/b12-10+
InChIKeyLBIIXHZWQPIAIX-ZRDIBKRKSA-N
MW205.21 g/mol
LogP1.90
Rot. Bonds1

About (8E)-8-hydroxyimino-6,7-dihydro-5H-naphthalene-2-carboxylic acid

(8E)-8-hydroxyimino-6,7-dihydro-5H-naphthalene-2-carboxylic acid (PubChem CID 14756548) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (8E)-8-hydroxyimino-6,7-dihydro-5H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name(8E)-8-hydroxyimino-6,7-dihydro-5H-naphthalene-2-carboxylic acid
PubChem CID14756548
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(8E)-8-hydroxyimino-6,7-dihydro-5H-naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)/C(=N/O)CCC2
InChIInChI=1S/C11H11NO3/c13-11(14)8-5-4-7-2-1-3-10(12-15)9(7)6-8/h4-6,15H,1-3H2,(H,13,14)/b12-10+
InChIKeyLBIIXHZWQPIAIX-ZRDIBKRKSA-N
XLogP1.90
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of (8E)-8-hydroxyimino-6,7-dihydro-5H-naphthalene-2-carboxylic acid?
The IUPAC name of (8E)-8-hydroxyimino-6,7-dihydro-5H-naphthalene-2-carboxylic acid (CID 14756548) is (8E)-8-hydroxyimino-6,7-dihydro-5H-naphthalene-2-carboxylic acid.
What is the SMILES notation for (8E)-8-hydroxyimino-6,7-dihydro-5H-naphthalene-2-carboxylic acid?
The canonical SMILES for (8E)-8-hydroxyimino-6,7-dihydro-5H-naphthalene-2-carboxylic acid is O=C(O)c1ccc2c(c1)/C(=N/O)CCC2.
What is the InChIKey of (8E)-8-hydroxyimino-6,7-dihydro-5H-naphthalene-2-carboxylic acid?
The InChIKey is LBIIXHZWQPIAIX-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H11NO3/c13-11(14)8-5-4-7-2-1-3-10(12-15)9(7)6-8/h4-6,15H,1-3H2,(H,13,14)/b12-10+.
What are the key properties of (8E)-8-hydroxyimino-6,7-dihydro-5H-naphthalene-2-carboxylic acid?
(8E)-8-hydroxyimino-6,7-dihydro-5H-naphthalene-2-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-8-hydroxyimino-6,7-dihydro-5H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 14756548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).