2-diazo-3,5-dihydronaphthalen-1-one

C10H8N2O — CID 90713439

IUPAC2-diazo-3,5-dihydronaphthalen-1-one
SMILES[N-]=[N+]=C1CC=C2CC=CC=C2C1=O
InChIInChI=1S/C10H8N2O/c11-12-9-6-5-7-3-1-2-4-8(7)10(9)13/h1-2,4-5H,3,6H2
InChIKeyAIGBIAPKDOPACI-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.44
Rot. Bonds

About 2-diazo-3,5-dihydronaphthalen-1-one

2-diazo-3,5-dihydronaphthalen-1-one (PubChem CID 90713439) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-diazo-3,5-dihydronaphthalen-1-one.

Molecular Properties

Compound Name2-diazo-3,5-dihydronaphthalen-1-one
PubChem CID90713439
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name2-diazo-3,5-dihydronaphthalen-1-one
SMILES[N-]=[N+]=C1CC=C2CC=CC=C2C1=O
InChIInChI=1S/C10H8N2O/c11-12-9-6-5-7-3-1-2-4-8(7)10(9)13/h1-2,4-5H,3,6H2
InChIKeyAIGBIAPKDOPACI-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
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

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CID 134924844
[(8-diazo-3-diazonioimino-1,4-dioxo-7H-naphthalen-2-ylidene)hydrazinylidene]azanide
CID 18764876
[(3-Diazonioimino-1,6-dioxo-5,7-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide
CID 19038782
(9E)-9-hydrazinylidene-2H-phenalen-1-one
CID 20450517
2-Diazo-3,8a-dihydronaphthalen-1-one
CID 20687709
5-diazo-6H-naphthalene-1,4-dione
CID 23202654
[[4-[3-[2-[3-(4-Diazonioiminocyclohexa-2,5-dien-1-ylidene)prop-1-enyl]-5-oxocyclopenten-1-yl]prop-2-enylidene]cyclohexa-2,5-dien-1-ylidene]hydrazinylidene]azanide
CID 57298400
[[4-[[2-[(4-Diazonioiminocyclohexa-2,5-dien-1-ylidene)methyl]-6-oxocyclohexen-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]hydrazinylidene]azanide
CID 57316600
9-hydrazinylidene-2H-phenalen-1-one
CID 73707662
8-Diazo-7,10-dihydroanthracen-1-one
CID 87554697
2-Diazo-3,5-dihydronaphthalen-1-one;propane
CID 91473845

Frequently Asked Questions

What is the IUPAC name of 2-diazo-3,5-dihydronaphthalen-1-one?
The IUPAC name of 2-diazo-3,5-dihydronaphthalen-1-one (CID 90713439) is 2-diazo-3,5-dihydronaphthalen-1-one.
What is the SMILES notation for 2-diazo-3,5-dihydronaphthalen-1-one?
The canonical SMILES for 2-diazo-3,5-dihydronaphthalen-1-one is [N-]=[N+]=C1CC=C2CC=CC=C2C1=O.
What is the InChIKey of 2-diazo-3,5-dihydronaphthalen-1-one?
The InChIKey is AIGBIAPKDOPACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c11-12-9-6-5-7-3-1-2-4-8(7)10(9)13/h1-2,4-5H,3,6H2.
What are the key properties of 2-diazo-3,5-dihydronaphthalen-1-one?
2-diazo-3,5-dihydronaphthalen-1-one has a molecular weight of 172.19 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-3,5-dihydronaphthalen-1-one is sourced from PubChem (CID 90713439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).