2-[(2S)-pyrrolidin-2-yl]but-3-en-2-ol

C8H15NO — CID 138485562

IUPAC2-[(2S)-pyrrolidin-2-yl]but-3-en-2-ol
SMILESC=CC(C)(O)[C@@H]1CCCN1
InChIInChI=1S/C8H15NO/c1-3-8(2,10)7-5-4-6-9-7/h3,7,9-10H,1,4-6H2,2H3/t7-,8?/m0/s1
InChIKeyAAENYHFOOKKXGP-JAMMHHFISA-N
MW141.21 g/mol
LogP0.68
Rot. Bonds2

About 2-[(2S)-pyrrolidin-2-yl]but-3-en-2-ol

2-[(2S)-pyrrolidin-2-yl]but-3-en-2-ol (PubChem CID 138485562) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-[(2S)-pyrrolidin-2-yl]but-3-en-2-ol.

Molecular Properties

Compound Name2-[(2S)-pyrrolidin-2-yl]but-3-en-2-ol
PubChem CID138485562
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-[(2S)-pyrrolidin-2-yl]but-3-en-2-ol
SMILESC=CC(C)(O)[C@@H]1CCCN1
InChIInChI=1S/C8H15NO/c1-3-8(2,10)7-5-4-6-9-7/h3,7,9-10H,1,4-6H2,2H3/t7-,8?/m0/s1
InChIKeyAAENYHFOOKKXGP-JAMMHHFISA-N
XLogP0.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(2S)-pyrrolidin-2-yl]but-3-en-2-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 2-[(2S)-pyrrolidin-2-yl]but-3-en-2-ol?
The IUPAC name of 2-[(2S)-pyrrolidin-2-yl]but-3-en-2-ol (CID 138485562) is 2-[(2S)-pyrrolidin-2-yl]but-3-en-2-ol.
What is the SMILES notation for 2-[(2S)-pyrrolidin-2-yl]but-3-en-2-ol?
The canonical SMILES for 2-[(2S)-pyrrolidin-2-yl]but-3-en-2-ol is C=CC(C)(O)[C@@H]1CCCN1.
What is the InChIKey of 2-[(2S)-pyrrolidin-2-yl]but-3-en-2-ol?
The InChIKey is AAENYHFOOKKXGP-JAMMHHFISA-N. The full InChI is InChI=1S/C8H15NO/c1-3-8(2,10)7-5-4-6-9-7/h3,7,9-10H,1,4-6H2,2H3/t7-,8?/m0/s1.
What are the key properties of 2-[(2S)-pyrrolidin-2-yl]but-3-en-2-ol?
2-[(2S)-pyrrolidin-2-yl]but-3-en-2-ol has a molecular weight of 141.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-pyrrolidin-2-yl]but-3-en-2-ol is sourced from PubChem (CID 138485562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).