1-[(3S)-pyrrolidin-3-yl]but-3-en-1-ol

C8H15NO — CID 89024800

IUPAC1-[(3S)-pyrrolidin-3-yl]but-3-en-1-ol
SMILESC=CCC(O)[C@H]1CCNC1
InChIInChI=1S/C8H15NO/c1-2-3-8(10)7-4-5-9-6-7/h2,7-10H,1,3-6H2/t7-,8?/m0/s1
InChIKeyHAGSMXCSDQSJFN-JAMMHHFISA-N
MW141.21 g/mol
LogP0.53
Rot. Bonds3

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

1-[(3S)-pyrrolidin-3-yl]but-3-en-1-ol (PubChem CID 89024800) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-[(3S)-pyrrolidin-3-yl]but-3-en-1-ol.

Molecular Properties

Compound Name1-[(3S)-pyrrolidin-3-yl]but-3-en-1-ol
PubChem CID89024800
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-[(3S)-pyrrolidin-3-yl]but-3-en-1-ol
SMILESC=CCC(O)[C@H]1CCNC1
InChIInChI=1S/C8H15NO/c1-2-3-8(10)7-4-5-9-6-7/h2,7-10H,1,3-6H2/t7-,8?/m0/s1
InChIKeyHAGSMXCSDQSJFN-JAMMHHFISA-N
XLogP0.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-pyrrolidin-3-yl]but-3-en-1-ol?
The IUPAC name of 1-[(3S)-pyrrolidin-3-yl]but-3-en-1-ol (CID 89024800) is 1-[(3S)-pyrrolidin-3-yl]but-3-en-1-ol.
What is the SMILES notation for 1-[(3S)-pyrrolidin-3-yl]but-3-en-1-ol?
The canonical SMILES for 1-[(3S)-pyrrolidin-3-yl]but-3-en-1-ol is C=CCC(O)[C@H]1CCNC1.
What is the InChIKey of 1-[(3S)-pyrrolidin-3-yl]but-3-en-1-ol?
The InChIKey is HAGSMXCSDQSJFN-JAMMHHFISA-N. The full InChI is InChI=1S/C8H15NO/c1-2-3-8(10)7-4-5-9-6-7/h2,7-10H,1,3-6H2/t7-,8?/m0/s1.
What are the key properties of 1-[(3S)-pyrrolidin-3-yl]but-3-en-1-ol?
1-[(3S)-pyrrolidin-3-yl]but-3-en-1-ol has a molecular weight of 141.21 g/mol, XLogP of 0.53, 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]but-3-en-1-ol is sourced from PubChem (CID 89024800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).