1-diazo-3,4-dihydronaphthalen-2-one

C10H8N2O — CID 11084333

IUPAC1-diazo-3,4-dihydronaphthalen-2-one
SMILES[N-]=[N+]=C1C(=O)CCc2ccccc21
InChIInChI=1S/C10H8N2O/c11-12-10-8-4-2-1-3-7(8)5-6-9(10)13/h1-4H,5-6H2
InChIKeyQJTLGMLTSDEXES-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.22
Rot. Bonds

About 1-diazo-3,4-dihydronaphthalen-2-one

1-diazo-3,4-dihydronaphthalen-2-one (PubChem CID 11084333) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 1-diazo-3,4-dihydronaphthalen-2-one.

Molecular Properties

Compound Name1-diazo-3,4-dihydronaphthalen-2-one
PubChem CID11084333
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name1-diazo-3,4-dihydronaphthalen-2-one
SMILES[N-]=[N+]=C1C(=O)CCc2ccccc21
InChIInChI=1S/C10H8N2O/c11-12-10-8-4-2-1-3-7(8)5-6-9(10)13/h1-4H,5-6H2
InChIKeyQJTLGMLTSDEXES-UHFFFAOYSA-N
XLogP1.22
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Ethanone, diazodiphenyl-
CID 137954
(1Z)-1-diazoanthracene-2,9,10-trione
CID 135504237
1,2-Dioxido-3,5-diphenylpyrazole-1,2-diium-4-one
CID 314944
Diazoquinofluorene
CID 44417096
2,3-Diazidonaphthalene-1,4-dione
CID 4663752
1,3-Cyclohexanedione, 2-diazo-5-phenyl-
CID 10889250
(10E)-10-diazophenanthren-9-one
CID 139225996
1-Diazo-1-(2-fluorophenyl)propan-2-one
CID 164665477
Agn-PC-0NI8L0
CID 12251109
1-Diazoanthracene-2,9,10-trione
CID 2847693
4-Iminonaphthalene-1,2-dione
CID 6993240
2-Diazonio-3,4-dihydronaphthalen-1-olate
CID 12676285

Frequently Asked Questions

What is the IUPAC name of 1-diazo-3,4-dihydronaphthalen-2-one?
The IUPAC name of 1-diazo-3,4-dihydronaphthalen-2-one (CID 11084333) is 1-diazo-3,4-dihydronaphthalen-2-one.
What is the SMILES notation for 1-diazo-3,4-dihydronaphthalen-2-one?
The canonical SMILES for 1-diazo-3,4-dihydronaphthalen-2-one is [N-]=[N+]=C1C(=O)CCc2ccccc21.
What is the InChIKey of 1-diazo-3,4-dihydronaphthalen-2-one?
The InChIKey is QJTLGMLTSDEXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c11-12-10-8-4-2-1-3-7(8)5-6-9(10)13/h1-4H,5-6H2.
What are the key properties of 1-diazo-3,4-dihydronaphthalen-2-one?
1-diazo-3,4-dihydronaphthalen-2-one has a molecular weight of 172.19 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazo-3,4-dihydronaphthalen-2-one is sourced from PubChem (CID 11084333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).