8-azido-5-methoxy-3,4-dihydro-2H-naphthalen-1-one

C11H11N3O2 — CID 15313226

IUPAC8-azido-5-methoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc(N=[N+]=[N-])c2c1CCCC2=O
InChIInChI=1S/C11H11N3O2/c1-16-10-6-5-8(13-14-12)11-7(10)3-2-4-9(11)15/h5-6H,2-4H2,1H3
InChIKeyVDTKGGXXVISDJM-UHFFFAOYSA-N
MW217.23 g/mol
LogP3.16
Rot. Bonds2

About 8-azido-5-methoxy-3,4-dihydro-2H-naphthalen-1-one

8-azido-5-methoxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 15313226) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 8-azido-5-methoxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name8-azido-5-methoxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID15313226
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name8-azido-5-methoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc(N=[N+]=[N-])c2c1CCCC2=O
InChIInChI=1S/C11H11N3O2/c1-16-10-6-5-8(13-14-12)11-7(10)3-2-4-9(11)15/h5-6H,2-4H2,1H3
InChIKeyVDTKGGXXVISDJM-UHFFFAOYSA-N
XLogP3.16
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-7-methyl-2,3-dihydroinden-1-one
CID 600490
11-diazo-6,9-dimethoxy-2,3-dihydro-1H-benzo[b]fluorene-4,5,10-trione
CID 102346753
7-fluoro-4-methoxy-2,3-dihydroinden-1-one
CID 53486405
5,8-diethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 13357311
2-(4-methoxy-8-oxo-6,7-dihydro-5H-naphthalen-1-yl)benzoic acid
CID 86021263
8-methoxy-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 95561498
7-iodo-4-methoxy-2,3-dihydroinden-1-one
CID 12969786
1-azido-4-methoxynaphthalene
CID 20536800
1-azido-4-methoxy-2,3-dinitrobenzene
CID 150548251
(4-acetyloxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl) acetate
CID 152625052
1-azido-2-methoxy-4-methylbenzene
CID 152671087
8-bromo-5-ethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 62732048

Frequently Asked Questions

What is the IUPAC name of 8-azido-5-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 8-azido-5-methoxy-3,4-dihydro-2H-naphthalen-1-one (CID 15313226) is 8-azido-5-methoxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 8-azido-5-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 8-azido-5-methoxy-3,4-dihydro-2H-naphthalen-1-one is COc1ccc(N=[N+]=[N-])c2c1CCCC2=O.
What is the InChIKey of 8-azido-5-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is VDTKGGXXVISDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-10-6-5-8(13-14-12)11-7(10)3-2-4-9(11)15/h5-6H,2-4H2,1H3.
What are the key properties of 8-azido-5-methoxy-3,4-dihydro-2H-naphthalen-1-one?
8-azido-5-methoxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 217.23 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azido-5-methoxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 15313226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).