(1-methyl-4-tritiopyrrolidin-2-yl)methanediol

C6H13NO2 — CID 59896078

IUPAC(1-methyl-4-tritiopyrrolidin-2-yl)methanediol
SMILES[3H]C1CC(C(O)O)N(C)C1
InChIInChI=1S/C6H13NO2/c1-7-4-2-3-5(7)6(8)9/h5-6,8-9H,2-4H2,1H3/i2T
InChIKeyDITMRDCOKXZSJB-FUPOQFPWSA-N
MW133.18 g/mol
LogP-0.61
Rot. Bonds1

About (1-methyl-4-tritiopyrrolidin-2-yl)methanediol

(1-methyl-4-tritiopyrrolidin-2-yl)methanediol (PubChem CID 59896078) has the molecular formula C6H13NO2 and a molecular weight of 133.18 g/mol. Its IUPAC name is (1-methyl-4-tritiopyrrolidin-2-yl)methanediol.

Molecular Properties

Compound Name(1-methyl-4-tritiopyrrolidin-2-yl)methanediol
PubChem CID59896078
Molecular FormulaC6H13NO2
Molecular Weight133.18 g/mol
Exact Mass133.10
IUPAC Name(1-methyl-4-tritiopyrrolidin-2-yl)methanediol
SMILES[3H]C1CC(C(O)O)N(C)C1
InChIInChI=1S/C6H13NO2/c1-7-4-2-3-5(7)6(8)9/h5-6,8-9H,2-4H2,1H3/i2T
InChIKeyDITMRDCOKXZSJB-FUPOQFPWSA-N
XLogP-0.61
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.18
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (1-methyl-4-tritiopyrrolidin-2-yl)methanediol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;methane;tetrakis([(2S)-1-methylpyrrolidin-2-yl]methanediol);tetrakis([(2R)-1-methylpyrrolidin-2-yl]methanediol)
CID 159344358
(1R)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol
CID 155904197
1-methyl-2-propan-2-ylazetidine
CID 23588958
(1S)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol;(1R)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-ol
CID 165045426
(4-hydroxy-1-methylpyrrolidin-2-yl)methanediol
CID 21348453
(1-methylpiperidin-4-yl)methanediol
CID 21366498
2-(difluoromethyl)-1-methylazepane
CID 123397217
[3-hydroxy-3-(1-methylpiperidin-2-yl)-1-phosphonopropyl]phosphonic acid
CID 157374692
hydroxy-[(2S)-1-methylpyrrolidin-2-yl]methanesulfonic acid;tungsten
CID 59075961
2-cyclopentyl-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595741
(1S)-1-(1-methylpyrrolidin-2-yl)ethanamine
CID 59120846
2-fluoro-2-(1-methylpyrrolidin-2-yl)ethanol
CID 105429072

Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-tritiopyrrolidin-2-yl)methanediol?
The IUPAC name of (1-methyl-4-tritiopyrrolidin-2-yl)methanediol (CID 59896078) is (1-methyl-4-tritiopyrrolidin-2-yl)methanediol.
What is the SMILES notation for (1-methyl-4-tritiopyrrolidin-2-yl)methanediol?
The canonical SMILES for (1-methyl-4-tritiopyrrolidin-2-yl)methanediol is [3H]C1CC(C(O)O)N(C)C1.
What is the InChIKey of (1-methyl-4-tritiopyrrolidin-2-yl)methanediol?
The InChIKey is DITMRDCOKXZSJB-FUPOQFPWSA-N. The full InChI is InChI=1S/C6H13NO2/c1-7-4-2-3-5(7)6(8)9/h5-6,8-9H,2-4H2,1H3/i2T.
What are the key properties of (1-methyl-4-tritiopyrrolidin-2-yl)methanediol?
(1-methyl-4-tritiopyrrolidin-2-yl)methanediol has a molecular weight of 133.18 g/mol, XLogP of -0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-tritiopyrrolidin-2-yl)methanediol is sourced from PubChem (CID 59896078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).