(3S)-1,3-dimethylpyrrolidine;(3S)-1-methylpyrrolidin-3-ol

C11H24N2O — CID 159420555

IUPAC(3S)-1,3-dimethylpyrrolidine;(3S)-1-methylpyrrolidin-3-ol
SMILESCN1CC[C@H](O)C1.C[C@H]1CCN(C)C1
InChIInChI=1S/C6H13N.C5H11NO/c1-6-3-4-7(2)5-6;1-6-3-2-5(7)4-6/h6H,3-5H2,1-2H3;5,7H,2-4H2,1H3/t6-;5-/m00/s1
InChIKeyLPSFPOYRSPNFQQ-MENMJLHVSA-N
MW200.33 g/mol
LogP0.64
Rot. Bonds

About (3S)-1,3-dimethylpyrrolidine;(3S)-1-methylpyrrolidin-3-ol

(3S)-1,3-dimethylpyrrolidine;(3S)-1-methylpyrrolidin-3-ol (PubChem CID 159420555) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (3S)-1,3-dimethylpyrrolidine;(3S)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1,3-dimethylpyrrolidine;(3S)-1-methylpyrrolidin-3-ol
PubChem CID159420555
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(3S)-1,3-dimethylpyrrolidine;(3S)-1-methylpyrrolidin-3-ol
SMILESCN1CC[C@H](O)C1.C[C@H]1CCN(C)C1
InChIInChI=1S/C6H13N.C5H11NO/c1-6-3-4-7(2)5-6;1-6-3-2-5(7)4-6/h6H,3-5H2,1-2H3;5,7H,2-4H2,1H3/t6-;5-/m00/s1
InChIKeyLPSFPOYRSPNFQQ-MENMJLHVSA-N
XLogP0.64
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methylpropyl)pyrrolidin-3-ol
CID 20672251
(3S)-1-(2-methylpropyl)pyrrolidin-3-ol
CID 57561797
(3R)-1-(2-methylpropyl)pyrrolidin-3-ol
CID 89708588
Pyrrolidine, 1-(2-hydroxy-3-pyrrolidin-1-yl)propyl-
CID 57126359
(3R,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-3-ol
CID 177132672
1-(3-Fluorobutyl)-4-methylpyrrolidin-3-ol
CID 130693362
1-Neopentylpyrrolidin-3-ol
CID 11194467
1,4-Dimethylpyrrolidin-3-ol
CID 13726425
1-(3,3-Dimethyl-butyl)-pyrrolidin-3-ol
CID 18768948
1-[3-[Bis(3-methylbutyl)amino]propyl]pyrrolidin-3-ol
CID 19026073
1-(4-Methylpentyl)pyrrolidin-3-ol
CID 20811805
1-Ethylpyrrolidin-3-ol;2-pyrrolidin-1-ylethanol
CID 22356038

Frequently Asked Questions

What is the IUPAC name of (3S)-1,3-dimethylpyrrolidine;(3S)-1-methylpyrrolidin-3-ol?
The IUPAC name of (3S)-1,3-dimethylpyrrolidine;(3S)-1-methylpyrrolidin-3-ol (CID 159420555) is (3S)-1,3-dimethylpyrrolidine;(3S)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-1,3-dimethylpyrrolidine;(3S)-1-methylpyrrolidin-3-ol?
The canonical SMILES for (3S)-1,3-dimethylpyrrolidine;(3S)-1-methylpyrrolidin-3-ol is CN1CC[C@H](O)C1.C[C@H]1CCN(C)C1.
What is the InChIKey of (3S)-1,3-dimethylpyrrolidine;(3S)-1-methylpyrrolidin-3-ol?
The InChIKey is LPSFPOYRSPNFQQ-MENMJLHVSA-N. The full InChI is InChI=1S/C6H13N.C5H11NO/c1-6-3-4-7(2)5-6;1-6-3-2-5(7)4-6/h6H,3-5H2,1-2H3;5,7H,2-4H2,1H3/t6-;5-/m00/s1.
What are the key properties of (3S)-1,3-dimethylpyrrolidine;(3S)-1-methylpyrrolidin-3-ol?
(3S)-1,3-dimethylpyrrolidine;(3S)-1-methylpyrrolidin-3-ol has a molecular weight of 200.33 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3-dimethylpyrrolidine;(3S)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 159420555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).