[(1R,2R)-2-(azidomethyl)-2-iodocyclopropyl]benzene

C10H10IN3 — CID 10859519

IUPAC[(1R,2R)-2-(azidomethyl)-2-iodocyclopropyl]benzene
SMILES[N-]=[N+]=NC[C@@]1(I)C[C@@H]1c1ccccc1
InChIInChI=1S/C10H10IN3/c11-10(7-13-14-12)6-9(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-,10+/m1/s1
InChIKeyHIOMCFNGIXIEEJ-ZJUUUORDSA-N
MW299.12 g/mol
LogP3.66
Rot. Bonds3

About [(1R,2R)-2-(azidomethyl)-2-iodocyclopropyl]benzene

[(1R,2R)-2-(azidomethyl)-2-iodocyclopropyl]benzene (PubChem CID 10859519) has the molecular formula C10H10IN3 and a molecular weight of 299.12 g/mol. Its IUPAC name is [(1R,2R)-2-(azidomethyl)-2-iodocyclopropyl]benzene.

Molecular Properties

Compound Name[(1R,2R)-2-(azidomethyl)-2-iodocyclopropyl]benzene
PubChem CID10859519
Molecular FormulaC10H10IN3
Molecular Weight299.12 g/mol
Exact Mass298.99
IUPAC Name[(1R,2R)-2-(azidomethyl)-2-iodocyclopropyl]benzene
SMILES[N-]=[N+]=NC[C@@]1(I)C[C@@H]1c1ccccc1
InChIInChI=1S/C10H10IN3/c11-10(7-13-14-12)6-9(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-,10+/m1/s1
InChIKeyHIOMCFNGIXIEEJ-ZJUUUORDSA-N
XLogP3.66
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 53.66
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

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CID 12684736
[(2S,3R)-2-azido-3-phenyloxetan-2-yl]methanol
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(2R)-2-(azidomethyl)-2-phenylcyclopentan-1-one
CID 102230871
4-(9-azidononyl)-2-phenyl-1,3-dioxolane
CID 11109920
3-(azidomethyl)-1-benzyl-3-chloropyrrolidin-2-one
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(3R,4aS,11bS)-4a-(azidomethyl)-3-phenyl-3,4,5,6,7,11b-hexahydropyrido[2,3-d][1]benzazepine
CID 162367594
[(2S)-1-(hydroxymethyl)-2-phenylcyclopropyl]methanol
CID 101480035
CID 138981955
CID 138981955
benzyl 1-(azidomethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 11161604
(4S,5R)-5-azido-4-(azidomethyl)-2-phenyl-1,3-dioxane
CID 102154551
2-(azidomethyl)-3,4,5,6-tetrakis(phenylmethoxy)oxane
CID 22088767
[(1R,2S)-1-methyl-2-phenylcyclopropyl]methanol
CID 10607081

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(azidomethyl)-2-iodocyclopropyl]benzene?
The IUPAC name of [(1R,2R)-2-(azidomethyl)-2-iodocyclopropyl]benzene (CID 10859519) is [(1R,2R)-2-(azidomethyl)-2-iodocyclopropyl]benzene.
What is the SMILES notation for [(1R,2R)-2-(azidomethyl)-2-iodocyclopropyl]benzene?
The canonical SMILES for [(1R,2R)-2-(azidomethyl)-2-iodocyclopropyl]benzene is [N-]=[N+]=NC[C@@]1(I)C[C@@H]1c1ccccc1.
What is the InChIKey of [(1R,2R)-2-(azidomethyl)-2-iodocyclopropyl]benzene?
The InChIKey is HIOMCFNGIXIEEJ-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H10IN3/c11-10(7-13-14-12)6-9(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-,10+/m1/s1.
What are the key properties of [(1R,2R)-2-(azidomethyl)-2-iodocyclopropyl]benzene?
[(1R,2R)-2-(azidomethyl)-2-iodocyclopropyl]benzene has a molecular weight of 299.12 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(azidomethyl)-2-iodocyclopropyl]benzene is sourced from PubChem (CID 10859519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).