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

C9H9N3 — CID 89202215

IUPAC(1R)-1-azido-2,3-dihydro-1H-indene
SMILES[N-]=[N+]=N[C@@H]1CCc2ccccc21
InChIInChI=1S/C9H9N3/c10-12-11-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2/t9-/m1/s1
InChIKeyDRYHUFGCDZWXBZ-SECBINFHSA-N
MW159.19 g/mol
LogP2.98
Rot. Bonds1

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

(1R)-1-azido-2,3-dihydro-1H-indene (PubChem CID 89202215) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is (1R)-1-azido-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1R)-1-azido-2,3-dihydro-1H-indene
PubChem CID89202215
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name(1R)-1-azido-2,3-dihydro-1H-indene
SMILES[N-]=[N+]=N[C@@H]1CCc2ccccc21
InChIInChI=1S/C9H9N3/c10-12-11-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2/t9-/m1/s1
InChIKeyDRYHUFGCDZWXBZ-SECBINFHSA-N
XLogP2.98
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

CID 167645226
CID 167645226
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CID 104853457
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(1R)-1-azido-6-methoxy-2,3-dihydro-1H-indene
CID 91360016
1-azido-4-methyl-2,3-dihydro-1H-indene
CID 59860533
(1S,2R)-1-azido-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene
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(3-azido-2,3-dihydro-1H-inden-5-yl)oxy-tert-butyl-diphenylsilane
CID 10971697
(1R,2R)-1-azido-2-iodo-2,3-dihydro-1H-indene
CID 100942172
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CID 163450630

Frequently Asked Questions

What is the IUPAC name of (1R)-1-azido-2,3-dihydro-1H-indene?
The IUPAC name of (1R)-1-azido-2,3-dihydro-1H-indene (CID 89202215) is (1R)-1-azido-2,3-dihydro-1H-indene.
What is the SMILES notation for (1R)-1-azido-2,3-dihydro-1H-indene?
The canonical SMILES for (1R)-1-azido-2,3-dihydro-1H-indene is [N-]=[N+]=N[C@@H]1CCc2ccccc21.
What is the InChIKey of (1R)-1-azido-2,3-dihydro-1H-indene?
The InChIKey is DRYHUFGCDZWXBZ-SECBINFHSA-N. The full InChI is InChI=1S/C9H9N3/c10-12-11-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2/t9-/m1/s1.
What are the key properties of (1R)-1-azido-2,3-dihydro-1H-indene?
(1R)-1-azido-2,3-dihydro-1H-indene has a molecular weight of 159.19 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-azido-2,3-dihydro-1H-indene is sourced from PubChem (CID 89202215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).