[(3S)-1,3-dimethylpyrrolidin-3-yl]methanol

C7H15NO — CID 129297479

IUPAC[(3S)-1,3-dimethylpyrrolidin-3-yl]methanol
SMILESCN1CC[C@](C)(CO)C1
InChIInChI=1S/C7H15NO/c1-7(6-9)3-4-8(2)5-7/h9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyLSWLZQGMAHFPLN-ZETCQYMHSA-N
MW129.20 g/mol
LogP0.32
Rot. Bonds1

About [(3S)-1,3-dimethylpyrrolidin-3-yl]methanol

[(3S)-1,3-dimethylpyrrolidin-3-yl]methanol (PubChem CID 129297479) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is [(3S)-1,3-dimethylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1,3-dimethylpyrrolidin-3-yl]methanol
PubChem CID129297479
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name[(3S)-1,3-dimethylpyrrolidin-3-yl]methanol
SMILESCN1CC[C@](C)(CO)C1
InChIInChI=1S/C7H15NO/c1-7(6-9)3-4-8(2)5-7/h9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyLSWLZQGMAHFPLN-ZETCQYMHSA-N
XLogP0.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1,3-dimethylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3S)-1,3-dimethylpyrrolidin-3-yl]methanol (CID 129297479) is [(3S)-1,3-dimethylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1,3-dimethylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S)-1,3-dimethylpyrrolidin-3-yl]methanol is CN1CC[C@](C)(CO)C1.
What is the InChIKey of [(3S)-1,3-dimethylpyrrolidin-3-yl]methanol?
The InChIKey is LSWLZQGMAHFPLN-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(6-9)3-4-8(2)5-7/h9H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of [(3S)-1,3-dimethylpyrrolidin-3-yl]methanol?
[(3S)-1,3-dimethylpyrrolidin-3-yl]methanol has a molecular weight of 129.20 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1,3-dimethylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 129297479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).