[(3S,4S)-4-methylpyrrolidin-3-yl]methanol

C12H26N2O2 — CID 157146152

IUPAC[(3S,4S)-4-methylpyrrolidin-3-yl]methanol
SMILESC[C@@H]1CNC[C@H]1CO.C[C@@H]1CNC[C@H]1CO
InChIInChI=1S/2C6H13NO/c2*1-5-2-7-3-6(5)4-8/h2*5-8H,2-4H2,1H3/t2*5-,6+/m11/s1
InChIKeyAKSKTWKPMVVWCR-NTPRZCPUSA-N
MW230.35 g/mol
LogP-0.33
Rot. Bonds2

About [(3S,4S)-4-methylpyrrolidin-3-yl]methanol

[(3S,4S)-4-methylpyrrolidin-3-yl]methanol (PubChem CID 157146152) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is [(3S,4S)-4-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-4-methylpyrrolidin-3-yl]methanol
PubChem CID157146152
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name[(3S,4S)-4-methylpyrrolidin-3-yl]methanol
SMILESC[C@@H]1CNC[C@H]1CO.C[C@@H]1CNC[C@H]1CO
InChIInChI=1S/2C6H13NO/c2*1-5-2-7-3-6(5)4-8/h2*5-8H,2-4H2,1H3/t2*5-,6+/m11/s1
InChIKeyAKSKTWKPMVVWCR-NTPRZCPUSA-N
XLogP-0.33
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4S)-4-methylpyrrolidin-3-yl]methanol (CID 157146152) is [(3S,4S)-4-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4S)-4-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4S)-4-methylpyrrolidin-3-yl]methanol is C[C@@H]1CNC[C@H]1CO.C[C@@H]1CNC[C@H]1CO.
What is the InChIKey of [(3S,4S)-4-methylpyrrolidin-3-yl]methanol?
The InChIKey is AKSKTWKPMVVWCR-NTPRZCPUSA-N. The full InChI is InChI=1S/2C6H13NO/c2*1-5-2-7-3-6(5)4-8/h2*5-8H,2-4H2,1H3/t2*5-,6+/m11/s1.
What are the key properties of [(3S,4S)-4-methylpyrrolidin-3-yl]methanol?
[(3S,4S)-4-methylpyrrolidin-3-yl]methanol has a molecular weight of 230.35 g/mol, XLogP of -0.33, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 157146152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).