3-iodo-2-methylpyrrolidine

C5H10IN — CID 118329704

IUPAC3-iodo-2-methylpyrrolidine
SMILESCC1NCCC1I
InChIInChI=1S/C5H10IN/c1-4-5(6)2-3-7-4/h4-5,7H,2-3H2,1H3
InChIKeyRYCRQXNTLTVXIN-UHFFFAOYSA-N
MW211.05 g/mol
LogP1.17
Rot. Bonds

About 3-iodo-2-methylpyrrolidine

3-iodo-2-methylpyrrolidine (PubChem CID 118329704) has the molecular formula C5H10IN and a molecular weight of 211.05 g/mol. Its IUPAC name is 3-iodo-2-methylpyrrolidine.

Molecular Properties

Compound Name3-iodo-2-methylpyrrolidine
PubChem CID118329704
Molecular FormulaC5H10IN
Molecular Weight211.05 g/mol
Exact Mass210.99
IUPAC Name3-iodo-2-methylpyrrolidine
SMILESCC1NCCC1I
InChIInChI=1S/C5H10IN/c1-4-5(6)2-3-7-4/h4-5,7H,2-3H2,1H3
InChIKeyRYCRQXNTLTVXIN-UHFFFAOYSA-N
XLogP1.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.05
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethylpyrrolidine;ethane
CID 90972313
(2S,3S)-2,3-dimethylpiperazine
CID 51614849
(2R,3S)-2-methylpyrrolidin-3-ol
CID 55287364
(2S,3R)-2-methylpyrrolidin-3-ol;hydrochloride
CID 67314682
(2R,4S)-4-iodo-2-methylpiperidine
CID 156844978
N,N,2-trimethylpyrrolidin-3-amine
CID 54327698
(2S,3R,4R)-2,3-dimethylpiperidin-4-ol
CID 7238900
3-methoxy-2-methylpyrrolidine
CID 105427057
(2R,3R)-2-methylpyrrolidine-3-carboxylic acid
CID 10887930
(2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidine
CID 98041373
trihydroxy-(2-methylpyrrolidin-3-yl)silane
CID 69078558
(3R)-2,3-dimethylpiperidine
CID 118133422

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-methylpyrrolidine?
The IUPAC name of 3-iodo-2-methylpyrrolidine (CID 118329704) is 3-iodo-2-methylpyrrolidine.
What is the SMILES notation for 3-iodo-2-methylpyrrolidine?
The canonical SMILES for 3-iodo-2-methylpyrrolidine is CC1NCCC1I.
What is the InChIKey of 3-iodo-2-methylpyrrolidine?
The InChIKey is RYCRQXNTLTVXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10IN/c1-4-5(6)2-3-7-4/h4-5,7H,2-3H2,1H3.
What are the key properties of 3-iodo-2-methylpyrrolidine?
3-iodo-2-methylpyrrolidine has a molecular weight of 211.05 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-methylpyrrolidine is sourced from PubChem (CID 118329704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).