1-hydroxy-6-(methylamino)-2H-naphthalene-1-carbaldehyde

C12H13NO2 — CID 142713155

IUPAC1-hydroxy-6-(methylamino)-2H-naphthalene-1-carbaldehyde
SMILESCNc1ccc2c(c1)C=CCC2(O)C=O
InChIInChI=1S/C12H13NO2/c1-13-10-4-5-11-9(7-10)3-2-6-12(11,15)8-14/h2-5,7-8,13,15H,6H2,1H3
InChIKeyJGIZQHJMVLOXNS-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.53
Rot. Bonds2

About 1-hydroxy-6-(methylamino)-2H-naphthalene-1-carbaldehyde

1-hydroxy-6-(methylamino)-2H-naphthalene-1-carbaldehyde (PubChem CID 142713155) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-hydroxy-6-(methylamino)-2H-naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name1-hydroxy-6-(methylamino)-2H-naphthalene-1-carbaldehyde
PubChem CID142713155
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-hydroxy-6-(methylamino)-2H-naphthalene-1-carbaldehyde
SMILESCNc1ccc2c(c1)C=CCC2(O)C=O
InChIInChI=1S/C12H13NO2/c1-13-10-4-5-11-9(7-10)3-2-6-12(11,15)8-14/h2-5,7-8,13,15H,6H2,1H3
InChIKeyJGIZQHJMVLOXNS-UHFFFAOYSA-N
XLogP1.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-hydroxy-6-(methylamino)-2H-naphthalene-1-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-(methylamino)-2H-naphthalene-1-carbaldehyde?
The IUPAC name of 1-hydroxy-6-(methylamino)-2H-naphthalene-1-carbaldehyde (CID 142713155) is 1-hydroxy-6-(methylamino)-2H-naphthalene-1-carbaldehyde.
What is the SMILES notation for 1-hydroxy-6-(methylamino)-2H-naphthalene-1-carbaldehyde?
The canonical SMILES for 1-hydroxy-6-(methylamino)-2H-naphthalene-1-carbaldehyde is CNc1ccc2c(c1)C=CCC2(O)C=O.
What is the InChIKey of 1-hydroxy-6-(methylamino)-2H-naphthalene-1-carbaldehyde?
The InChIKey is JGIZQHJMVLOXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-13-10-4-5-11-9(7-10)3-2-6-12(11,15)8-14/h2-5,7-8,13,15H,6H2,1H3.
What are the key properties of 1-hydroxy-6-(methylamino)-2H-naphthalene-1-carbaldehyde?
1-hydroxy-6-(methylamino)-2H-naphthalene-1-carbaldehyde has a molecular weight of 203.24 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-(methylamino)-2H-naphthalene-1-carbaldehyde is sourced from PubChem (CID 142713155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).