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

C9H8IN3 — CID 100942172

IUPAC(1R,2R)-1-azido-2-iodo-2,3-dihydro-1H-indene
SMILES[N-]=[N+]=N[C@@H]1c2ccccc2C[C@H]1I
InChIInChI=1S/C9H8IN3/c10-8-5-6-3-1-2-4-7(6)9(8)12-13-11/h1-4,8-9H,5H2/t8-,9-/m1/s1
InChIKeyCTTVPEFOGMKZTO-RKDXNWHRSA-N
MW285.09 g/mol
LogP3.40
Rot. Bonds1

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

(1R,2R)-1-azido-2-iodo-2,3-dihydro-1H-indene (PubChem CID 100942172) has the molecular formula C9H8IN3 and a molecular weight of 285.09 g/mol. Its IUPAC name is (1R,2R)-1-azido-2-iodo-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1R,2R)-1-azido-2-iodo-2,3-dihydro-1H-indene
PubChem CID100942172
Molecular FormulaC9H8IN3
Molecular Weight285.09 g/mol
Exact Mass284.98
IUPAC Name(1R,2R)-1-azido-2-iodo-2,3-dihydro-1H-indene
SMILES[N-]=[N+]=N[C@@H]1c2ccccc2C[C@H]1I
InChIInChI=1S/C9H8IN3/c10-8-5-6-3-1-2-4-7(6)9(8)12-13-11/h1-4,8-9H,5H2/t8-,9-/m1/s1
InChIKeyCTTVPEFOGMKZTO-RKDXNWHRSA-N
XLogP3.40
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-diiodo-2,3-dihydro-1H-indene
CID 18913557
N-[(1S,2S)-1-azido-2,3-dihydro-1H-inden-2-yl]-4-chlorobenzenesulfonamide
CID 134984055
(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol
CID 11821326
2-azido-1-hydroperoxy-2,3-dihydro-1H-indene
CID 135064362
(1R)-1-azido-2,3-dihydro-1H-indene
CID 89202215
(1S,2R)-1-azido-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 10826537
2-azido-2,3-dihydro-1-benzothiophene
CID 86188795
(1S)-2-azido-1-ethoxy-2,3-dihydro-1H-indene
CID 130277539
(1aR,6S,6aS)-6-azido-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
CID 10442175
(2R,3R)-3-azido-1,2,3,4-tetrahydronaphthalen-2-ol
CID 15637840
[(5R,6S)-5-azido-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl] acetate
CID 10988552
(3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol
CID 167482973

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-azido-2-iodo-2,3-dihydro-1H-indene?
The IUPAC name of (1R,2R)-1-azido-2-iodo-2,3-dihydro-1H-indene (CID 100942172) is (1R,2R)-1-azido-2-iodo-2,3-dihydro-1H-indene.
What is the SMILES notation for (1R,2R)-1-azido-2-iodo-2,3-dihydro-1H-indene?
The canonical SMILES for (1R,2R)-1-azido-2-iodo-2,3-dihydro-1H-indene is [N-]=[N+]=N[C@@H]1c2ccccc2C[C@H]1I.
What is the InChIKey of (1R,2R)-1-azido-2-iodo-2,3-dihydro-1H-indene?
The InChIKey is CTTVPEFOGMKZTO-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H8IN3/c10-8-5-6-3-1-2-4-7(6)9(8)12-13-11/h1-4,8-9H,5H2/t8-,9-/m1/s1.
What are the key properties of (1R,2R)-1-azido-2-iodo-2,3-dihydro-1H-indene?
(1R,2R)-1-azido-2-iodo-2,3-dihydro-1H-indene has a molecular weight of 285.09 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-azido-2-iodo-2,3-dihydro-1H-indene is sourced from PubChem (CID 100942172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).