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

C12H11NO2 — CID 135533483

IUPAC2-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-1-ol
SMILESC/C(=N\O)c1ccc2ccccc2c1O
InChIInChI=1S/C12H11NO2/c1-8(13-15)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-7,14-15H,1H3/b13-8+
InChIKeyIZFPWYLXBWCBIN-MDWZMJQESA-N
MW201.22 g/mol
LogP2.74
Rot. Bonds1

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

2-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-1-ol (PubChem CID 135533483) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-1-ol
PubChem CID135533483
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name2-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-1-ol
SMILESC/C(=N\O)c1ccc2ccccc2c1O
InChIInChI=1S/C12H11NO2/c1-8(13-15)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-7,14-15H,1H3/b13-8+
InChIKeyIZFPWYLXBWCBIN-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-1-ol?
The IUPAC name of 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-1-ol (CID 135533483) is 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-1-ol.
What is the SMILES notation for 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-1-ol?
The canonical SMILES for 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-1-ol is C/C(=N\O)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-1-ol?
The InChIKey is IZFPWYLXBWCBIN-MDWZMJQESA-N. The full InChI is InChI=1S/C12H11NO2/c1-8(13-15)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-7,14-15H,1H3/b13-8+.
What are the key properties of 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-1-ol?
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-1-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 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-1-ol is sourced from PubChem (CID 135533483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).