1,2,2-trimethylpyrrolidin-3-ol

C7H15NO — CID 82418713

IUPAC1,2,2-trimethylpyrrolidin-3-ol
SMILESCN1CCC(O)C1(C)C
InChIInChI=1S/C7H15NO/c1-7(2)6(9)4-5-8(7)3/h6,9H,4-5H2,1-3H3
InChIKeyZPGSNALNPFRXCK-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.46
Rot. Bonds

About 1,2,2-trimethylpyrrolidin-3-ol

1,2,2-trimethylpyrrolidin-3-ol (PubChem CID 82418713) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1,2,2-trimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name1,2,2-trimethylpyrrolidin-3-ol
PubChem CID82418713
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1,2,2-trimethylpyrrolidin-3-ol
SMILESCN1CCC(O)C1(C)C
InChIInChI=1S/C7H15NO/c1-7(2)6(9)4-5-8(7)3/h6,9H,4-5H2,1-3H3
InChIKeyZPGSNALNPFRXCK-UHFFFAOYSA-N
XLogP0.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Dimethylpyrrolidin-3-ol
CID 71669042
1-Tert-butylpyrrolidin-3-ol
CID 21702735
5,5-Dimethylpyrrolidin-3-ol
CID 84731058
1,2,2-Trimethylpyrrolidin-3-ol hydrochloride
CID 137965887
1-Ethyl-2-methylpyrrolidin-3-ol
CID 101505440
(2R,3R,4S)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-ol
CID 153298253
(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-ol
CID 153298433
(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-ol
CID 153298446
(2R,3S,4S)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-ol
CID 153298730
(3S,4S)-4-fluoro-1,2-dimethylpyrrolidin-3-ol
CID 155257142
2-(2,2,4-Trimethylpyrrolidin-1-yl)ethanol
CID 249729
(1,2-Dimethylpyrrolidin-2-yl)methanol
CID 71332410

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethylpyrrolidin-3-ol?
The IUPAC name of 1,2,2-trimethylpyrrolidin-3-ol (CID 82418713) is 1,2,2-trimethylpyrrolidin-3-ol.
What is the SMILES notation for 1,2,2-trimethylpyrrolidin-3-ol?
The canonical SMILES for 1,2,2-trimethylpyrrolidin-3-ol is CN1CCC(O)C1(C)C.
What is the InChIKey of 1,2,2-trimethylpyrrolidin-3-ol?
The InChIKey is ZPGSNALNPFRXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2)6(9)4-5-8(7)3/h6,9H,4-5H2,1-3H3.
What are the key properties of 1,2,2-trimethylpyrrolidin-3-ol?
1,2,2-trimethylpyrrolidin-3-ol has a molecular weight of 129.20 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethylpyrrolidin-3-ol is sourced from PubChem (CID 82418713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).