1-[(E)-hydroxyiminomethyl]naphthalen-2-ol

C11H9NO2 — CID 135400485

IUPAC1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
SMILESO/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C11H9NO2/c13-11-6-5-8-3-1-2-4-9(8)10(11)7-12-14/h1-7,13-14H/b12-7+
InChIKeyVPTYRUGUZUYAGZ-KPKJPENVSA-N
MW187.20 g/mol
LogP2.35
Rot. Bonds1

About 1-[(E)-hydroxyiminomethyl]naphthalen-2-ol

1-[(E)-hydroxyiminomethyl]naphthalen-2-ol (PubChem CID 135400485) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 1-[(E)-hydroxyiminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
PubChem CID135400485
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
SMILESO/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C11H9NO2/c13-11-6-5-8-3-1-2-4-9(8)10(11)7-12-14/h1-7,13-14H/b12-7+
InChIKeyVPTYRUGUZUYAGZ-KPKJPENVSA-N
XLogP2.35
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.35
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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Related Compounds

1-(propan-2-yliminomethyl)naphthalen-2-ol
CID 4779256
1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol
CID 136675821
(NZ)-N-(anthracen-9-ylmethylidene)hydroxylamine
CID 5355154
1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol
CID 3576819
1-[(Z)-(diphenylhydrazinylidene)methyl]naphthalen-2-ol
CID 136690442
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
1-(benzhydryliminomethyl)naphthalen-2-ol
CID 135592591
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 708036
1-[(E)-[methyl(phenyl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135458877
1-[(1-hydroxy-2-methylpropan-2-yl)iminomethyl]naphthalen-2-ol
CID 5246475
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-hydroxyiminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-hydroxyiminomethyl]naphthalen-2-ol (CID 135400485) is 1-[(E)-hydroxyiminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-hydroxyiminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-hydroxyiminomethyl]naphthalen-2-ol is O/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(E)-hydroxyiminomethyl]naphthalen-2-ol?
The InChIKey is VPTYRUGUZUYAGZ-KPKJPENVSA-N. The full InChI is InChI=1S/C11H9NO2/c13-11-6-5-8-3-1-2-4-9(8)10(11)7-12-14/h1-7,13-14H/b12-7+.
What are the key properties of 1-[(E)-hydroxyiminomethyl]naphthalen-2-ol?
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol has a molecular weight of 187.20 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-hydroxyiminomethyl]naphthalen-2-ol is sourced from PubChem (CID 135400485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).