1-azido-5,6-dimethoxy-2,3-dihydro-1H-indene

C11H13N3O2 — CID 132528570

IUPAC1-azido-5,6-dimethoxy-2,3-dihydro-1H-indene
SMILESCOc1cc2c(cc1OC)C(N=[N+]=[N-])CC2
InChIInChI=1S/C11H13N3O2/c1-15-10-5-7-3-4-9(13-14-12)8(7)6-11(10)16-2/h5-6,9H,3-4H2,1-2H3
InChIKeyUWOYOBMPWBPZLK-UHFFFAOYSA-N
MW219.24 g/mol
LogP3.00
Rot. Bonds3

About 1-azido-5,6-dimethoxy-2,3-dihydro-1H-indene

1-azido-5,6-dimethoxy-2,3-dihydro-1H-indene (PubChem CID 132528570) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-azido-5,6-dimethoxy-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-azido-5,6-dimethoxy-2,3-dihydro-1H-indene
PubChem CID132528570
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-azido-5,6-dimethoxy-2,3-dihydro-1H-indene
SMILESCOc1cc2c(cc1OC)C(N=[N+]=[N-])CC2
InChIInChI=1S/C11H13N3O2/c1-15-10-5-7-3-4-9(13-14-12)8(7)6-11(10)16-2/h5-6,9H,3-4H2,1-2H3
InChIKeyUWOYOBMPWBPZLK-UHFFFAOYSA-N
XLogP3.00
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 53.00
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

2-azido-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 152782403
1-chloro-5,6-dimethoxy-2,3-dihydro-1H-indene
CID 82024117
[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]hydrazine
CID 124633928
(1R,2R)-2-fluoro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102581566
(1S,2R)-1-azido-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 10826537
2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 84639455
1-chloro-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 141053533
6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
CID 22646
2-[(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline
CID 3390089
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 39098425
1-cyclopropyl-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 14939993
1-bromo-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 116995533

Frequently Asked Questions

What is the IUPAC name of 1-azido-5,6-dimethoxy-2,3-dihydro-1H-indene?
The IUPAC name of 1-azido-5,6-dimethoxy-2,3-dihydro-1H-indene (CID 132528570) is 1-azido-5,6-dimethoxy-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-azido-5,6-dimethoxy-2,3-dihydro-1H-indene?
The canonical SMILES for 1-azido-5,6-dimethoxy-2,3-dihydro-1H-indene is COc1cc2c(cc1OC)C(N=[N+]=[N-])CC2.
What is the InChIKey of 1-azido-5,6-dimethoxy-2,3-dihydro-1H-indene?
The InChIKey is UWOYOBMPWBPZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-15-10-5-7-3-4-9(13-14-12)8(7)6-11(10)16-2/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 1-azido-5,6-dimethoxy-2,3-dihydro-1H-indene?
1-azido-5,6-dimethoxy-2,3-dihydro-1H-indene has a molecular weight of 219.24 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-5,6-dimethoxy-2,3-dihydro-1H-indene is sourced from PubChem (CID 132528570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).