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

C8H17NO — CID 131045249

IUPAC[(3S,4S)-4-propylpyrrolidin-3-yl]methanol
SMILESCCC[C@@H]1CNC[C@H]1CO
InChIInChI=1S/C8H17NO/c1-2-3-7-4-9-5-8(7)6-10/h7-10H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyPOKJDNZQLCRMFC-SFYZADRCSA-N
MW143.23 g/mol
LogP0.61
Rot. Bonds3

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

[(3S,4S)-4-propylpyrrolidin-3-yl]methanol (PubChem CID 131045249) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is [(3S,4S)-4-propylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-4-propylpyrrolidin-3-yl]methanol
PubChem CID131045249
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name[(3S,4S)-4-propylpyrrolidin-3-yl]methanol
SMILESCCC[C@@H]1CNC[C@H]1CO
InChIInChI=1S/C8H17NO/c1-2-3-7-4-9-5-8(7)6-10/h7-10H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyPOKJDNZQLCRMFC-SFYZADRCSA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-propylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4S)-4-propylpyrrolidin-3-yl]methanol (CID 131045249) is [(3S,4S)-4-propylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4S)-4-propylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4S)-4-propylpyrrolidin-3-yl]methanol is CCC[C@@H]1CNC[C@H]1CO.
What is the InChIKey of [(3S,4S)-4-propylpyrrolidin-3-yl]methanol?
The InChIKey is POKJDNZQLCRMFC-SFYZADRCSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-3-7-4-9-5-8(7)6-10/h7-10H,2-6H2,1H3/t7-,8+/m1/s1.
What are the key properties of [(3S,4S)-4-propylpyrrolidin-3-yl]methanol?
[(3S,4S)-4-propylpyrrolidin-3-yl]methanol has a molecular weight of 143.23 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-propylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 131045249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).