4-diazo-3-methyl-4a,8a-dihydronaphthalen-1-one

C11H10N2O — CID 134986621

IUPAC4-diazo-3-methyl-4a,8a-dihydronaphthalen-1-one
SMILESCC1=CC(=O)C2C=CC=CC2C1=[N+]=[N-]
InChIInChI=1S/C11H10N2O/c1-7-6-10(14)8-4-2-3-5-9(8)11(7)13-12/h2-6,8-9H,1H3
InChIKeyUOEYNJLEUSSEOM-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.54
Rot. Bonds

About 4-diazo-3-methyl-4a,8a-dihydronaphthalen-1-one

4-diazo-3-methyl-4a,8a-dihydronaphthalen-1-one (PubChem CID 134986621) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-diazo-3-methyl-4a,8a-dihydronaphthalen-1-one.

Molecular Properties

Compound Name4-diazo-3-methyl-4a,8a-dihydronaphthalen-1-one
PubChem CID134986621
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name4-diazo-3-methyl-4a,8a-dihydronaphthalen-1-one
SMILESCC1=CC(=O)C2C=CC=CC2C1=[N+]=[N-]
InChIInChI=1S/C11H10N2O/c1-7-6-10(14)8-4-2-3-5-9(8)11(7)13-12/h2-6,8-9H,1H3
InChIKeyUOEYNJLEUSSEOM-UHFFFAOYSA-N
XLogP1.54
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.54
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

6-Diazo-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 102189710
[(3-Diazonioimino-1,8-dioxo-7,8a-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide
CID 19038783
2-Diazo-3,8a-dihydronaphthalen-1-one
CID 20687709
1-(4,4a-Dihydrocinnolin-4-yl)ethanone
CID 70315315
1-diazo-8a,9a-dihydro-4H-fluoren-9-one
CID 87376395
8-Diazo-7,10-dihydroanthracen-1-one
CID 87554697
[[4-[[2-[(4-Diazonioiminocyclohexa-2,5-dien-1-ylidene)methyl]-3-ethyl-6-oxocyclohexen-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]hydrazinylidene]azanide
CID 123219752
(1Z)-1-hydrazinylidene-3-methyl-3,8a-dihydronaphthalen-2-one
CID 126737662
(2E)-2-diazo-4a,5,6,7,8,8a-hexahydronaphthalen-1-one
CID 145860242
2,6-Bis[(4-diazocyclohexa-1,5-dien-1-yl)methylidene]-4-methylcyclohexan-1-one
CID 153967051
8-Diazo-4,9a-dihydroanthracen-1-one
CID 173105872
1-(6-Diazocyclohexa-2,4-dien-1-yl)propan-1-one
CID 175712731

Frequently Asked Questions

What is the IUPAC name of 4-diazo-3-methyl-4a,8a-dihydronaphthalen-1-one?
The IUPAC name of 4-diazo-3-methyl-4a,8a-dihydronaphthalen-1-one (CID 134986621) is 4-diazo-3-methyl-4a,8a-dihydronaphthalen-1-one.
What is the SMILES notation for 4-diazo-3-methyl-4a,8a-dihydronaphthalen-1-one?
The canonical SMILES for 4-diazo-3-methyl-4a,8a-dihydronaphthalen-1-one is CC1=CC(=O)C2C=CC=CC2C1=[N+]=[N-].
What is the InChIKey of 4-diazo-3-methyl-4a,8a-dihydronaphthalen-1-one?
The InChIKey is UOEYNJLEUSSEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-7-6-10(14)8-4-2-3-5-9(8)11(7)13-12/h2-6,8-9H,1H3.
What are the key properties of 4-diazo-3-methyl-4a,8a-dihydronaphthalen-1-one?
4-diazo-3-methyl-4a,8a-dihydronaphthalen-1-one has a molecular weight of 186.21 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazo-3-methyl-4a,8a-dihydronaphthalen-1-one is sourced from PubChem (CID 134986621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).