(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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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).