2-diazo-1-naphthalen-2-ylethanone

C12H8N2O — CID 3415989

IUPAC2-diazo-1-naphthalen-2-ylethanone
SMILES[N-]=[N+]=CC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C12H8N2O/c13-14-8-12(15)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H
InChIKeyBVIDIQIESLQDNP-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.32
Rot. Bonds2

About 2-diazo-1-naphthalen-2-ylethanone

2-diazo-1-naphthalen-2-ylethanone (PubChem CID 3415989) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-diazo-1-naphthalen-2-ylethanone.

Molecular Properties

Compound Name2-diazo-1-naphthalen-2-ylethanone
PubChem CID3415989
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Name2-diazo-1-naphthalen-2-ylethanone
SMILES[N-]=[N+]=CC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C12H8N2O/c13-14-8-12(15)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H
InChIKeyBVIDIQIESLQDNP-UHFFFAOYSA-N
XLogP2.32
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-diazo-1-naphthalen-2-ylethanone?
The IUPAC name of 2-diazo-1-naphthalen-2-ylethanone (CID 3415989) is 2-diazo-1-naphthalen-2-ylethanone.
What is the SMILES notation for 2-diazo-1-naphthalen-2-ylethanone?
The canonical SMILES for 2-diazo-1-naphthalen-2-ylethanone is [N-]=[N+]=CC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-diazo-1-naphthalen-2-ylethanone?
The InChIKey is BVIDIQIESLQDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c13-14-8-12(15)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H.
What are the key properties of 2-diazo-1-naphthalen-2-ylethanone?
2-diazo-1-naphthalen-2-ylethanone has a molecular weight of 196.21 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-1-naphthalen-2-ylethanone is sourced from PubChem (CID 3415989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).