1-iodo-2,5-dimethylpyrrolidine

C6H12IN — CID 121369942

IUPAC1-iodo-2,5-dimethylpyrrolidine
SMILESCC1CCC(C)N1I
InChIInChI=1S/C6H12IN/c1-5-3-4-6(2)8(5)7/h5-6H,3-4H2,1-2H3
InChIKeyMLCGVROCXZSWCJ-UHFFFAOYSA-N
MW225.07 g/mol
LogP2.21
Rot. Bonds

About 1-iodo-2,5-dimethylpyrrolidine

1-iodo-2,5-dimethylpyrrolidine (PubChem CID 121369942) has the molecular formula C6H12IN and a molecular weight of 225.07 g/mol. Its IUPAC name is 1-iodo-2,5-dimethylpyrrolidine.

Molecular Properties

Compound Name1-iodo-2,5-dimethylpyrrolidine
PubChem CID121369942
Molecular FormulaC6H12IN
Molecular Weight225.07 g/mol
Exact Mass225.00
IUPAC Name1-iodo-2,5-dimethylpyrrolidine
SMILESCC1CCC(C)N1I
InChIInChI=1S/C6H12IN/c1-5-3-4-6(2)8(5)7/h5-6H,3-4H2,1-2H3
InChIKeyMLCGVROCXZSWCJ-UHFFFAOYSA-N
XLogP2.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.07
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,6R)-1,4-diiodo-2,6-dimethylpiperazine
CID 160927554
1-iodo-2-methylaziridine
CID 139722499
1,4-diiodo-2-methylpiperidine
CID 170289869
(2,5-dimethylpyrrolidin-1-yl)phosphane
CID 143476890
1-iodo-6-methylpiperidin-2-one
CID 135233240
(2R,5R)-2,5-dimethyl-1-propan-2-ylpyrrolidine
CID 58977160
(2R)-4-iodo-1,2-dimethylpiperidine
CID 177325469
N-[(2R)-2,5-dimethylpyrrolidin-1-yl]methanimine
CID 163638318
bis(2,5-dimethylpyrrolidin-1-yl)methanone
CID 91030343
CID 169243446
CID 169243446
(2S,5S)-2,5-dimethylpyrrolidine-1-carbothioic S-acid
CID 88721529
dibromo-bis(2,6-dimethylpiperidin-1-yl)silane
CID 140711240

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2,5-dimethylpyrrolidine?
The IUPAC name of 1-iodo-2,5-dimethylpyrrolidine (CID 121369942) is 1-iodo-2,5-dimethylpyrrolidine.
What is the SMILES notation for 1-iodo-2,5-dimethylpyrrolidine?
The canonical SMILES for 1-iodo-2,5-dimethylpyrrolidine is CC1CCC(C)N1I.
What is the InChIKey of 1-iodo-2,5-dimethylpyrrolidine?
The InChIKey is MLCGVROCXZSWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12IN/c1-5-3-4-6(2)8(5)7/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-iodo-2,5-dimethylpyrrolidine?
1-iodo-2,5-dimethylpyrrolidine has a molecular weight of 225.07 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2,5-dimethylpyrrolidine is sourced from PubChem (CID 121369942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).