1-diazo-6-methoxynaphthalen-2-one

C11H8N2O2 — CID 142730318

IUPAC1-diazo-6-methoxynaphthalen-2-one
SMILESCOc1ccc2c(c1)C=CC(=O)C2=[N+]=[N-]
InChIInChI=1S/C11H8N2O2/c1-15-8-3-4-9-7(6-8)2-5-10(14)11(9)13-12/h2-6H,1H3
InChIKeyGVZADABZUFBFNW-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.31
Rot. Bonds1

About 1-diazo-6-methoxynaphthalen-2-one

1-diazo-6-methoxynaphthalen-2-one (PubChem CID 142730318) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 1-diazo-6-methoxynaphthalen-2-one.

Molecular Properties

Compound Name1-diazo-6-methoxynaphthalen-2-one
PubChem CID142730318
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name1-diazo-6-methoxynaphthalen-2-one
SMILESCOc1ccc2c(c1)C=CC(=O)C2=[N+]=[N-]
InChIInChI=1S/C11H8N2O2/c1-15-8-3-4-9-7(6-8)2-5-10(14)11(9)13-12/h2-6H,1H3
InChIKeyGVZADABZUFBFNW-UHFFFAOYSA-N
XLogP1.31
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-diazo-6-methoxynaphthalen-2-one?
The IUPAC name of 1-diazo-6-methoxynaphthalen-2-one (CID 142730318) is 1-diazo-6-methoxynaphthalen-2-one.
What is the SMILES notation for 1-diazo-6-methoxynaphthalen-2-one?
The canonical SMILES for 1-diazo-6-methoxynaphthalen-2-one is COc1ccc2c(c1)C=CC(=O)C2=[N+]=[N-].
What is the InChIKey of 1-diazo-6-methoxynaphthalen-2-one?
The InChIKey is GVZADABZUFBFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c1-15-8-3-4-9-7(6-8)2-5-10(14)11(9)13-12/h2-6H,1H3.
What are the key properties of 1-diazo-6-methoxynaphthalen-2-one?
1-diazo-6-methoxynaphthalen-2-one has a molecular weight of 200.20 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazo-6-methoxynaphthalen-2-one is sourced from PubChem (CID 142730318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).