2-(propylideneamino)naphthalene-1,4-diol

C13H13NO2 — CID 123930537

IUPAC2-(propylideneamino)naphthalene-1,4-diol
SMILESCC/C=N/c1cc(O)c2ccccc2c1O
InChIInChI=1S/C13H13NO2/c1-2-7-14-11-8-12(15)9-5-3-4-6-10(9)13(11)16/h3-8,15-16H,2H2,1H3/b14-7+
InChIKeyWPKOQPWUMZXGLO-VGOFMYFVSA-N
MW215.25 g/mol
LogP3.36
Rot. Bonds2

About 2-(propylideneamino)naphthalene-1,4-diol

2-(propylideneamino)naphthalene-1,4-diol (PubChem CID 123930537) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-(propylideneamino)naphthalene-1,4-diol.

Molecular Properties

Compound Name2-(propylideneamino)naphthalene-1,4-diol
PubChem CID123930537
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name2-(propylideneamino)naphthalene-1,4-diol
SMILESCC/C=N/c1cc(O)c2ccccc2c1O
InChIInChI=1S/C13H13NO2/c1-2-7-14-11-8-12(15)9-5-3-4-6-10(9)13(11)16/h3-8,15-16H,2H2,1H3/b14-7+
InChIKeyWPKOQPWUMZXGLO-VGOFMYFVSA-N
XLogP3.36
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methylphenyl)methylideneamino]naphthalene-1,4-diol
CID 123646076
2-ethylnaphthalene-1,4-diol
CID 13077288
2-phenyldiazenylnaphthalene-1,4-diol
CID 135400911
2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol
CID 135503618
2-tert-butyl-4-methyl-6-(propylideneamino)phenol
CID 23578577
2-dipropylphosphanylnaphthalene-1,4-diol
CID 141045997
N-(2-phenylphenyl)propan-1-imine
CID 70437330
tris(diethylamino)-(1,4-dihydroxynaphthalen-2-yl)phosphanium
CID 3640954
2-dimethylphosphanylnaphthalene-1,4-diol
CID 141045981
1,4-dihydroxynaphthalene-2-sulfonamide
CID 91023096
benzyl 4-(2,5-dihydroxy-4-methoxy-3-methylphenyl)iminobutanoate
CID 123805011
N-(2,3-dimethylphenyl)propan-1-imine
CID 139886218

Frequently Asked Questions

What is the IUPAC name of 2-(propylideneamino)naphthalene-1,4-diol?
The IUPAC name of 2-(propylideneamino)naphthalene-1,4-diol (CID 123930537) is 2-(propylideneamino)naphthalene-1,4-diol.
What is the SMILES notation for 2-(propylideneamino)naphthalene-1,4-diol?
The canonical SMILES for 2-(propylideneamino)naphthalene-1,4-diol is CC/C=N/c1cc(O)c2ccccc2c1O.
What is the InChIKey of 2-(propylideneamino)naphthalene-1,4-diol?
The InChIKey is WPKOQPWUMZXGLO-VGOFMYFVSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-7-14-11-8-12(15)9-5-3-4-6-10(9)13(11)16/h3-8,15-16H,2H2,1H3/b14-7+.
What are the key properties of 2-(propylideneamino)naphthalene-1,4-diol?
2-(propylideneamino)naphthalene-1,4-diol has a molecular weight of 215.25 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylideneamino)naphthalene-1,4-diol is sourced from PubChem (CID 123930537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).