(3S,5S)-1,5-dimethylpyrrolidin-3-ol

C6H13NO — CID 59896080

IUPAC(3S,5S)-1,5-dimethylpyrrolidin-3-ol
SMILESC[C@H]1C[C@H](O)CN1C
InChIInChI=1S/C6H13NO/c1-5-3-6(8)4-7(5)2/h5-6,8H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyCIOLSWLKRIJZQO-WDSKDSINSA-N
MW115.18 g/mol
LogP0.07
Rot. Bonds

About (3S,5S)-1,5-dimethylpyrrolidin-3-ol

(3S,5S)-1,5-dimethylpyrrolidin-3-ol (PubChem CID 59896080) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (3S,5S)-1,5-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-1,5-dimethylpyrrolidin-3-ol
PubChem CID59896080
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(3S,5S)-1,5-dimethylpyrrolidin-3-ol
SMILESC[C@H]1C[C@H](O)CN1C
InChIInChI=1S/C6H13NO/c1-5-3-6(8)4-7(5)2/h5-6,8H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyCIOLSWLKRIJZQO-WDSKDSINSA-N
XLogP0.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4R,5S)-1,2,5-trimethylpiperidin-4-ol
CID 98394541
1,6-dimethylpiperidin-3-ol;ethane
CID 170766589
(2S)-1,2,4-trimethylpyrrolidine
CID 59864868
(3R,5S)-1-(2-methoxyethyl)-5-methylpyrrolidin-3-ol
CID 99995143
(4-hydroxy-1-methylpyrrolidin-2-yl)methanediol
CID 21348453
2,3,5-trimethyl-1,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[c]azepin-8-ol
CID 123323436
ethane;(2R,5R)-1,2,4,5-tetramethylpiperidine
CID 145040358
ethane;1,2,4,5-tetramethylpiperazine
CID 164865311
(2R,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58493970
(1,5-dimethylpyrrolidin-3-yl)methanol;ethane
CID 144977240
(3S,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol;hydrochloride
CID 133109107
1-[(2S)-4-hydroxy-1-methylpyrrolidin-2-yl]ethanone
CID 59918461

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1,5-dimethylpyrrolidin-3-ol?
The IUPAC name of (3S,5S)-1,5-dimethylpyrrolidin-3-ol (CID 59896080) is (3S,5S)-1,5-dimethylpyrrolidin-3-ol.
What is the SMILES notation for (3S,5S)-1,5-dimethylpyrrolidin-3-ol?
The canonical SMILES for (3S,5S)-1,5-dimethylpyrrolidin-3-ol is C[C@H]1C[C@H](O)CN1C.
What is the InChIKey of (3S,5S)-1,5-dimethylpyrrolidin-3-ol?
The InChIKey is CIOLSWLKRIJZQO-WDSKDSINSA-N. The full InChI is InChI=1S/C6H13NO/c1-5-3-6(8)4-7(5)2/h5-6,8H,3-4H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (3S,5S)-1,5-dimethylpyrrolidin-3-ol?
(3S,5S)-1,5-dimethylpyrrolidin-3-ol has a molecular weight of 115.18 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1,5-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 59896080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).