methyl N-[(1S,3R)-3-iodocyclopentyl]carbamate

C7H12INO2 — CID 89493028

IUPACmethyl N-[(1S,3R)-3-iodocyclopentyl]carbamate
SMILESCOC(=O)N[C@H]1CC[C@@H](I)C1
InChIInChI=1S/C7H12INO2/c1-11-7(10)9-6-3-2-5(8)4-6/h5-6H,2-4H2,1H3,(H,9,10)/t5-,6+/m1/s1
InChIKeyAOHFTPLMUXNRKT-RITPCOANSA-N
MW269.08 g/mol
LogP1.70
Rot. Bonds1

About methyl N-[(1S,3R)-3-iodocyclopentyl]carbamate

methyl N-[(1S,3R)-3-iodocyclopentyl]carbamate (PubChem CID 89493028) has the molecular formula C7H12INO2 and a molecular weight of 269.08 g/mol. Its IUPAC name is methyl N-[(1S,3R)-3-iodocyclopentyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1S,3R)-3-iodocyclopentyl]carbamate
PubChem CID89493028
Molecular FormulaC7H12INO2
Molecular Weight269.08 g/mol
Exact Mass268.99
IUPAC Namemethyl N-[(1S,3R)-3-iodocyclopentyl]carbamate
SMILESCOC(=O)N[C@H]1CC[C@@H](I)C1
InChIInChI=1S/C7H12INO2/c1-11-7(10)9-6-3-2-5(8)4-6/h5-6H,2-4H2,1H3,(H,9,10)/t5-,6+/m1/s1
InChIKeyAOHFTPLMUXNRKT-RITPCOANSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.08
LogP ≤ 51.70
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 methyl N-[(1S,3R)-3-iodocyclopentyl]carbamate?
The IUPAC name of methyl N-[(1S,3R)-3-iodocyclopentyl]carbamate (CID 89493028) is methyl N-[(1S,3R)-3-iodocyclopentyl]carbamate.
What is the SMILES notation for methyl N-[(1S,3R)-3-iodocyclopentyl]carbamate?
The canonical SMILES for methyl N-[(1S,3R)-3-iodocyclopentyl]carbamate is COC(=O)N[C@H]1CC[C@@H](I)C1.
What is the InChIKey of methyl N-[(1S,3R)-3-iodocyclopentyl]carbamate?
The InChIKey is AOHFTPLMUXNRKT-RITPCOANSA-N. The full InChI is InChI=1S/C7H12INO2/c1-11-7(10)9-6-3-2-5(8)4-6/h5-6H,2-4H2,1H3,(H,9,10)/t5-,6+/m1/s1.
What are the key properties of methyl N-[(1S,3R)-3-iodocyclopentyl]carbamate?
methyl N-[(1S,3R)-3-iodocyclopentyl]carbamate has a molecular weight of 269.08 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1S,3R)-3-iodocyclopentyl]carbamate is sourced from PubChem (CID 89493028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).