1-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-2-ol

C12H11NO2 — CID 135766896

IUPAC1-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-2-ol
SMILESC/C(=N\O)c1c(O)ccc2ccccc12
InChIInChI=1S/C12H11NO2/c1-8(13-15)12-10-5-3-2-4-9(10)6-7-11(12)14/h2-7,14-15H,1H3/b13-8+
InChIKeyXIQCWPSVYKMJPF-MDWZMJQESA-N
MW201.22 g/mol
LogP2.74
Rot. Bonds1

About 1-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-2-ol

1-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-2-ol (PubChem CID 135766896) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-2-ol
PubChem CID135766896
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name1-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-2-ol
SMILESC/C(=N\O)c1c(O)ccc2ccccc12
InChIInChI=1S/C12H11NO2/c1-8(13-15)12-10-5-3-2-4-9(10)6-7-11(12)14/h2-7,14-15H,1H3/b13-8+
InChIKeyXIQCWPSVYKMJPF-MDWZMJQESA-N
XLogP2.74
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.74
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'}

Analyze 1-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]naphthalen-2-ol
CID 137266787
bis(2-hydroxynaphthalen-1-yl)methanone
CID 68928260
2-hydroxy-N,N-dimethylnaphthalene-1-carboxamide
CID 23279236
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-hydroxynaphthalene-1-carboxamide
CID 27511302
methyl 3-hydroxyphenanthrene-4-carboxylate
CID 89028786
N-(diaminomethylidene)-2-hydroxynaphthalene-1-carboxamide;hydrate;hydrochloride
CID 22447281
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135410018
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
diethylamino 2-hydroxynaphthalene-1-carboxylate
CID 22369256
1-[2-(2-hydroxyethoxy)naphthalen-1-yl]ethanone;1-(2-hydroxynaphthalen-1-yl)ethanone
CID 157383372
1-[(E)-2-iodo-1-phenylethenyl]naphthalen-2-ol
CID 132502188

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-2-ol (CID 135766896) is 1-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-2-ol is C/C(=N\O)c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-2-ol?
The InChIKey is XIQCWPSVYKMJPF-MDWZMJQESA-N. The full InChI is InChI=1S/C12H11NO2/c1-8(13-15)12-10-5-3-2-4-9(10)6-7-11(12)14/h2-7,14-15H,1H3/b13-8+.
What are the key properties of 1-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-2-ol?
1-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-2-ol has a molecular weight of 201.22 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-2-ol is sourced from PubChem (CID 135766896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).