[(3S,5R)-5-methylpyrrolidin-3-yl]methanol

C6H13NO — CID 68712143

IUPAC[(3S,5R)-5-methylpyrrolidin-3-yl]methanol
SMILESC[C@@H]1C[C@H](CO)CN1
InChIInChI=1S/C6H13NO/c1-5-2-6(4-8)3-7-5/h5-8H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeySHTKAZQCRDTBLT-RITPCOANSA-N
MW115.18 g/mol
LogP-0.02
Rot. Bonds1

About [(3S,5R)-5-methylpyrrolidin-3-yl]methanol

[(3S,5R)-5-methylpyrrolidin-3-yl]methanol (PubChem CID 68712143) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is [(3S,5R)-5-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,5R)-5-methylpyrrolidin-3-yl]methanol
PubChem CID68712143
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name[(3S,5R)-5-methylpyrrolidin-3-yl]methanol
SMILESC[C@@H]1C[C@H](CO)CN1
InChIInChI=1S/C6H13NO/c1-5-2-6(4-8)3-7-5/h5-8H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeySHTKAZQCRDTBLT-RITPCOANSA-N
XLogP-0.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-5-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,5R)-5-methylpyrrolidin-3-yl]methanol (CID 68712143) is [(3S,5R)-5-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,5R)-5-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,5R)-5-methylpyrrolidin-3-yl]methanol is C[C@@H]1C[C@H](CO)CN1.
What is the InChIKey of [(3S,5R)-5-methylpyrrolidin-3-yl]methanol?
The InChIKey is SHTKAZQCRDTBLT-RITPCOANSA-N. The full InChI is InChI=1S/C6H13NO/c1-5-2-6(4-8)3-7-5/h5-8H,2-4H2,1H3/t5-,6+/m1/s1.
What are the key properties of [(3S,5R)-5-methylpyrrolidin-3-yl]methanol?
[(3S,5R)-5-methylpyrrolidin-3-yl]methanol has a molecular weight of 115.18 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-5-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 68712143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).