1-(iodomethyl)-3-methylpyrrolidin-3-ol

C6H12INO — CID 171074388

IUPAC1-(iodomethyl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(CI)C1
InChIInChI=1S/C6H12INO/c1-6(9)2-3-8(4-6)5-7/h9H,2-5H2,1H3
InChIKeyDQQPSGXSMNSHGM-UHFFFAOYSA-N
MW241.07 g/mol
LogP0.84
Rot. Bonds1

About 1-(iodomethyl)-3-methylpyrrolidin-3-ol

1-(iodomethyl)-3-methylpyrrolidin-3-ol (PubChem CID 171074388) has the molecular formula C6H12INO and a molecular weight of 241.07 g/mol. Its IUPAC name is 1-(iodomethyl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(iodomethyl)-3-methylpyrrolidin-3-ol
PubChem CID171074388
Molecular FormulaC6H12INO
Molecular Weight241.07 g/mol
Exact Mass241.00
IUPAC Name1-(iodomethyl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(CI)C1
InChIInChI=1S/C6H12INO/c1-6(9)2-3-8(4-6)5-7/h9H,2-5H2,1H3
InChIKeyDQQPSGXSMNSHGM-UHFFFAOYSA-N
XLogP0.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.07
LogP ≤ 50.84
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-4-(pyrrolidin-1-yl)butan-2-ol
CID 79359808
1-Methyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 59504971
3-Methyl-1-(2,2,2-trifluoro-1-iodoethyl)pyrrolidin-3-ol
CID 89182269
(3R)-1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 94910943
(3S)-1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 94910944
1-Ethyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 124199965
3-(Fluoromethyl)-1-methylpyrrolidin-3-ol
CID 126759752
1-Ethyl-4,4-difluoro-3-methylpyrrolidin-3-ol
CID 169592175
(3R)-4,4-difluoro-1,3-dimethylpyrrolidin-3-ol
CID 169592176
3-(Difluoromethyl)-1-methylpyrrolidin-3-ol
CID 80605681
1-(2,2-Difluoroethyl)-3-methylpyrrolidin-3-ol
CID 103728389
3-Methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol
CID 103728576

Frequently Asked Questions

What is the IUPAC name of 1-(iodomethyl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(iodomethyl)-3-methylpyrrolidin-3-ol (CID 171074388) is 1-(iodomethyl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(iodomethyl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(iodomethyl)-3-methylpyrrolidin-3-ol is CC1(O)CCN(CI)C1.
What is the InChIKey of 1-(iodomethyl)-3-methylpyrrolidin-3-ol?
The InChIKey is DQQPSGXSMNSHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12INO/c1-6(9)2-3-8(4-6)5-7/h9H,2-5H2,1H3.
What are the key properties of 1-(iodomethyl)-3-methylpyrrolidin-3-ol?
1-(iodomethyl)-3-methylpyrrolidin-3-ol has a molecular weight of 241.07 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 171074388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).