2-azido-5-methoxy-2,3-dihydro-1H-indene

C10H11N3O — CID 132528606

IUPAC2-azido-5-methoxy-2,3-dihydro-1H-indene
SMILESCOc1ccc2c(c1)CC(N=[N+]=[N-])C2
InChIInChI=1S/C10H11N3O/c1-14-10-3-2-7-4-9(12-13-11)5-8(7)6-10/h2-3,6,9H,4-5H2,1H3
InChIKeySVSQVWQELMJNDA-UHFFFAOYSA-N
MW189.22 g/mol
LogP2.47
Rot. Bonds2

About 2-azido-5-methoxy-2,3-dihydro-1H-indene

2-azido-5-methoxy-2,3-dihydro-1H-indene (PubChem CID 132528606) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-azido-5-methoxy-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-azido-5-methoxy-2,3-dihydro-1H-indene
PubChem CID132528606
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-azido-5-methoxy-2,3-dihydro-1H-indene
SMILESCOc1ccc2c(c1)CC(N=[N+]=[N-])C2
InChIInChI=1S/C10H11N3O/c1-14-10-3-2-7-4-9(12-13-11)5-8(7)6-10/h2-3,6,9H,4-5H2,1H3
InChIKeySVSQVWQELMJNDA-UHFFFAOYSA-N
XLogP2.47
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(1R)-1-azido-6-methoxy-2,3-dihydro-1H-indene
CID 91360016
(2R)-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334379
2-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indene
CID 134338473
N-ethyl-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 23397076
(2R,5R)-1-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2,5-dimethylpyrrolidine
CID 69028967
7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 19889857
5-methoxy-11-azatricyclo[8.2.2.03,8]tetradeca-3(8),4,6-triene
CID 20537552
[(3S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 130682443
7-methoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510216
3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 62375759
N-[(1S)-1-cyclohexylethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510632
(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 15718592

Frequently Asked Questions

What is the IUPAC name of 2-azido-5-methoxy-2,3-dihydro-1H-indene?
The IUPAC name of 2-azido-5-methoxy-2,3-dihydro-1H-indene (CID 132528606) is 2-azido-5-methoxy-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-azido-5-methoxy-2,3-dihydro-1H-indene?
The canonical SMILES for 2-azido-5-methoxy-2,3-dihydro-1H-indene is COc1ccc2c(c1)CC(N=[N+]=[N-])C2.
What is the InChIKey of 2-azido-5-methoxy-2,3-dihydro-1H-indene?
The InChIKey is SVSQVWQELMJNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-14-10-3-2-7-4-9(12-13-11)5-8(7)6-10/h2-3,6,9H,4-5H2,1H3.
What are the key properties of 2-azido-5-methoxy-2,3-dihydro-1H-indene?
2-azido-5-methoxy-2,3-dihydro-1H-indene has a molecular weight of 189.22 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-5-methoxy-2,3-dihydro-1H-indene is sourced from PubChem (CID 132528606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).