[(1S,2S)-2-iodocyclopentyl] carbamate

C6H10INO2 — CID 138651300

IUPAC[(1S,2S)-2-iodocyclopentyl] carbamate
SMILESNC(=O)O[C@H]1CCC[C@@H]1I
InChIInChI=1S/C6H10INO2/c7-4-2-1-3-5(4)10-6(8)9/h4-5H,1-3H2,(H2,8,9)/t4-,5-/m0/s1
InChIKeyBOLPEBGISWSAHX-WHFBIAKZSA-N
MW255.05 g/mol
LogP1.44
Rot. Bonds1

About [(1S,2S)-2-iodocyclopentyl] carbamate

[(1S,2S)-2-iodocyclopentyl] carbamate (PubChem CID 138651300) has the molecular formula C6H10INO2 and a molecular weight of 255.05 g/mol. Its IUPAC name is [(1S,2S)-2-iodocyclopentyl] carbamate.

Molecular Properties

Compound Name[(1S,2S)-2-iodocyclopentyl] carbamate
PubChem CID138651300
Molecular FormulaC6H10INO2
Molecular Weight255.05 g/mol
Exact Mass254.98
IUPAC Name[(1S,2S)-2-iodocyclopentyl] carbamate
SMILESNC(=O)O[C@H]1CCC[C@@H]1I
InChIInChI=1S/C6H10INO2/c7-4-2-1-3-5(4)10-6(8)9/h4-5H,1-3H2,(H2,8,9)/t4-,5-/m0/s1
InChIKeyBOLPEBGISWSAHX-WHFBIAKZSA-N
XLogP1.44
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.05
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-iodocyclopentyl] carbamate?
The IUPAC name of [(1S,2S)-2-iodocyclopentyl] carbamate (CID 138651300) is [(1S,2S)-2-iodocyclopentyl] carbamate.
What is the SMILES notation for [(1S,2S)-2-iodocyclopentyl] carbamate?
The canonical SMILES for [(1S,2S)-2-iodocyclopentyl] carbamate is NC(=O)O[C@H]1CCC[C@@H]1I.
What is the InChIKey of [(1S,2S)-2-iodocyclopentyl] carbamate?
The InChIKey is BOLPEBGISWSAHX-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H10INO2/c7-4-2-1-3-5(4)10-6(8)9/h4-5H,1-3H2,(H2,8,9)/t4-,5-/m0/s1.
What are the key properties of [(1S,2S)-2-iodocyclopentyl] carbamate?
[(1S,2S)-2-iodocyclopentyl] carbamate has a molecular weight of 255.05 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-iodocyclopentyl] carbamate is sourced from PubChem (CID 138651300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).