(1R)-1-azido-6-methoxy-2,3-dihydro-1H-indene

C10H11N3O — CID 91360016

IUPAC(1R)-1-azido-6-methoxy-2,3-dihydro-1H-indene
SMILESCOc1ccc2c(c1)[C@H](N=[N+]=[N-])CC2
InChIInChI=1S/C10H11N3O/c1-14-8-4-2-7-3-5-10(12-13-11)9(7)6-8/h2,4,6,10H,3,5H2,1H3/t10-/m1/s1
InChIKeyMIJZPIGXROPGAK-SNVBAGLBSA-N
MW189.22 g/mol
LogP2.99
Rot. Bonds2

About (1R)-1-azido-6-methoxy-2,3-dihydro-1H-indene

(1R)-1-azido-6-methoxy-2,3-dihydro-1H-indene (PubChem CID 91360016) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is (1R)-1-azido-6-methoxy-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1R)-1-azido-6-methoxy-2,3-dihydro-1H-indene
PubChem CID91360016
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name(1R)-1-azido-6-methoxy-2,3-dihydro-1H-indene
SMILESCOc1ccc2c(c1)[C@H](N=[N+]=[N-])CC2
InChIInChI=1S/C10H11N3O/c1-14-8-4-2-7-3-5-10(12-13-11)9(7)6-8/h2,4,6,10H,3,5H2,1H3/t10-/m1/s1
InChIKeyMIJZPIGXROPGAK-SNVBAGLBSA-N
XLogP2.99
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 ≤ 52.99
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

1-azido-5,6-dimethoxy-2,3-dihydro-1H-indene
CID 132528570
(3-azido-2,3-dihydro-1H-inden-5-yl)oxy-tert-butyl-diphenylsilane
CID 10971697
6-methoxy-2,3-dihydro-1H-indene-1-thiol
CID 79374496
1,2,7-trimethoxy-1,2,3,4-tetrahydronaphthalene
CID 102014911
2-azido-5-methoxy-2,3-dihydro-1H-indene
CID 132528606
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66798065
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526
N-cyclopropyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366110
6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 134188965
2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 52911309
2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethanamine
CID 10900371

Frequently Asked Questions

What is the IUPAC name of (1R)-1-azido-6-methoxy-2,3-dihydro-1H-indene?
The IUPAC name of (1R)-1-azido-6-methoxy-2,3-dihydro-1H-indene (CID 91360016) is (1R)-1-azido-6-methoxy-2,3-dihydro-1H-indene.
What is the SMILES notation for (1R)-1-azido-6-methoxy-2,3-dihydro-1H-indene?
The canonical SMILES for (1R)-1-azido-6-methoxy-2,3-dihydro-1H-indene is COc1ccc2c(c1)[C@H](N=[N+]=[N-])CC2.
What is the InChIKey of (1R)-1-azido-6-methoxy-2,3-dihydro-1H-indene?
The InChIKey is MIJZPIGXROPGAK-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11N3O/c1-14-8-4-2-7-3-5-10(12-13-11)9(7)6-8/h2,4,6,10H,3,5H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-azido-6-methoxy-2,3-dihydro-1H-indene?
(1R)-1-azido-6-methoxy-2,3-dihydro-1H-indene has a molecular weight of 189.22 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-azido-6-methoxy-2,3-dihydro-1H-indene is sourced from PubChem (CID 91360016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).