1-[(3S)-pyrrolidin-3-yl]butan-1-ol

C8H17NO — CID 89024709

IUPAC1-[(3S)-pyrrolidin-3-yl]butan-1-ol
SMILESCCCC(O)[C@H]1CCNC1
InChIInChI=1S/C8H17NO/c1-2-3-8(10)7-4-5-9-6-7/h7-10H,2-6H2,1H3/t7-,8?/m0/s1
InChIKeyUBFGFDPGRQDQNU-JAMMHHFISA-N
MW143.23 g/mol
LogP0.76
Rot. Bonds3

About 1-[(3S)-pyrrolidin-3-yl]butan-1-ol

1-[(3S)-pyrrolidin-3-yl]butan-1-ol (PubChem CID 89024709) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-[(3S)-pyrrolidin-3-yl]butan-1-ol.

Molecular Properties

Compound Name1-[(3S)-pyrrolidin-3-yl]butan-1-ol
PubChem CID89024709
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-[(3S)-pyrrolidin-3-yl]butan-1-ol
SMILESCCCC(O)[C@H]1CCNC1
InChIInChI=1S/C8H17NO/c1-2-3-8(10)7-4-5-9-6-7/h7-10H,2-6H2,1H3/t7-,8?/m0/s1
InChIKeyUBFGFDPGRQDQNU-JAMMHHFISA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(3S)-pyrrolidin-3-yl]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-pyrrolidin-3-yl]butan-1-ol?
The IUPAC name of 1-[(3S)-pyrrolidin-3-yl]butan-1-ol (CID 89024709) is 1-[(3S)-pyrrolidin-3-yl]butan-1-ol.
What is the SMILES notation for 1-[(3S)-pyrrolidin-3-yl]butan-1-ol?
The canonical SMILES for 1-[(3S)-pyrrolidin-3-yl]butan-1-ol is CCCC(O)[C@H]1CCNC1.
What is the InChIKey of 1-[(3S)-pyrrolidin-3-yl]butan-1-ol?
The InChIKey is UBFGFDPGRQDQNU-JAMMHHFISA-N. The full InChI is InChI=1S/C8H17NO/c1-2-3-8(10)7-4-5-9-6-7/h7-10H,2-6H2,1H3/t7-,8?/m0/s1.
What are the key properties of 1-[(3S)-pyrrolidin-3-yl]butan-1-ol?
1-[(3S)-pyrrolidin-3-yl]butan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-pyrrolidin-3-yl]butan-1-ol is sourced from PubChem (CID 89024709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).