2-diazo-1-naphthalen-1-ylethanone

C12H8N2O — CID 73176926

IUPAC2-diazo-1-naphthalen-1-ylethanone
SMILES[N-]=[N+]=CC(=O)c1cccc2ccccc12
InChIInChI=1S/C12H8N2O/c13-14-8-12(15)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H
InChIKeyBEFLZDIHEULPBW-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.32
Rot. Bonds2

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

2-diazo-1-naphthalen-1-ylethanone (PubChem CID 73176926) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-diazo-1-naphthalen-1-ylethanone.

Molecular Properties

Compound Name2-diazo-1-naphthalen-1-ylethanone
PubChem CID73176926
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Name2-diazo-1-naphthalen-1-ylethanone
SMILES[N-]=[N+]=CC(=O)c1cccc2ccccc12
InChIInChI=1S/C12H8N2O/c13-14-8-12(15)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H
InChIKeyBEFLZDIHEULPBW-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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Related Compounds

[8-(2-diazoacetyl)naphthalen-2-yl] acetate
CID 154113975
2-hydroxyimino-1-naphthalen-1-ylethanone
CID 72672439
(E)-4,4,4-trifluoro-1-naphthalen-1-ylbut-2-en-1-one
CID 101484406
1,3-dinaphthalen-1-ylpropane-1,2,3-trione
CID 67892351
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
naphthalene-1-carbonyl iodide
CID 87393513
(E)-1-naphthalen-1-yl-5-phenylpent-2-en-4-yn-1-one
CID 122385874
sodium naphthalene-1-carbothioate
CID 134872711
CID 129133768
CID 129133768
(2E,4Z)-1-naphthalen-1-ylhepta-2,4-dien-1-one
CID 139259985
1-naphthalen-1-ylbut-3-en-1-one
CID 11030731
(Z)-3-(tert-butylamino)-1-naphthalen-1-ylprop-2-en-1-one
CID 58582610

Frequently Asked Questions

What is the IUPAC name of 2-diazo-1-naphthalen-1-ylethanone?
The IUPAC name of 2-diazo-1-naphthalen-1-ylethanone (CID 73176926) is 2-diazo-1-naphthalen-1-ylethanone.
What is the SMILES notation for 2-diazo-1-naphthalen-1-ylethanone?
The canonical SMILES for 2-diazo-1-naphthalen-1-ylethanone is [N-]=[N+]=CC(=O)c1cccc2ccccc12.
What is the InChIKey of 2-diazo-1-naphthalen-1-ylethanone?
The InChIKey is BEFLZDIHEULPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c13-14-8-12(15)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H.
What are the key properties of 2-diazo-1-naphthalen-1-ylethanone?
2-diazo-1-naphthalen-1-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-1-ylethanone is sourced from PubChem (CID 73176926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).