methyl N-(2-hydroxynaphthalen-1-yl)benzenecarbohydrazonate

C18H16N2O2 — CID 123382911

IUPACmethyl N-(2-hydroxynaphthalen-1-yl)benzenecarbohydrazonate
SMILESCOC(=NNc1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C18H16N2O2/c1-22-18(14-8-3-2-4-9-14)20-19-17-15-10-6-5-7-13(15)11-12-16(17)21/h2-12,19,21H,1H3
InChIKeyKNRJFUYYRZOXHU-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.97
Rot. Bonds3

About methyl N-(2-hydroxynaphthalen-1-yl)benzenecarbohydrazonate

methyl N-(2-hydroxynaphthalen-1-yl)benzenecarbohydrazonate (PubChem CID 123382911) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl N-(2-hydroxynaphthalen-1-yl)benzenecarbohydrazonate.

Molecular Properties

Compound Namemethyl N-(2-hydroxynaphthalen-1-yl)benzenecarbohydrazonate
PubChem CID123382911
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Namemethyl N-(2-hydroxynaphthalen-1-yl)benzenecarbohydrazonate
SMILESCOC(=NNc1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C18H16N2O2/c1-22-18(14-8-3-2-4-9-14)20-19-17-15-10-6-5-7-13(15)11-12-16(17)21/h2-12,19,21H,1H3
InChIKeyKNRJFUYYRZOXHU-UHFFFAOYSA-N
XLogP3.97
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 methyl N-(2-hydroxynaphthalen-1-yl)benzenecarbohydrazonate?
The IUPAC name of methyl N-(2-hydroxynaphthalen-1-yl)benzenecarbohydrazonate (CID 123382911) is methyl N-(2-hydroxynaphthalen-1-yl)benzenecarbohydrazonate.
What is the SMILES notation for methyl N-(2-hydroxynaphthalen-1-yl)benzenecarbohydrazonate?
The canonical SMILES for methyl N-(2-hydroxynaphthalen-1-yl)benzenecarbohydrazonate is COC(=NNc1c(O)ccc2ccccc12)c1ccccc1.
What is the InChIKey of methyl N-(2-hydroxynaphthalen-1-yl)benzenecarbohydrazonate?
The InChIKey is KNRJFUYYRZOXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-22-18(14-8-3-2-4-9-14)20-19-17-15-10-6-5-7-13(15)11-12-16(17)21/h2-12,19,21H,1H3.
What are the key properties of methyl N-(2-hydroxynaphthalen-1-yl)benzenecarbohydrazonate?
methyl N-(2-hydroxynaphthalen-1-yl)benzenecarbohydrazonate has a molecular weight of 292.34 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-hydroxynaphthalen-1-yl)benzenecarbohydrazonate is sourced from PubChem (CID 123382911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).