1-pyrrolidin-2-ylbut-3-en-1-ol

C8H15NO — CID 72814698

IUPAC1-pyrrolidin-2-ylbut-3-en-1-ol
SMILESC=CCC(O)C1CCCN1
InChIInChI=1S/C8H15NO/c1-2-4-8(10)7-5-3-6-9-7/h2,7-10H,1,3-6H2
InChIKeyIRULEIXILFZTEE-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.68
Rot. Bonds3

About 1-pyrrolidin-2-ylbut-3-en-1-ol

1-pyrrolidin-2-ylbut-3-en-1-ol (PubChem CID 72814698) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-pyrrolidin-2-ylbut-3-en-1-ol.

Molecular Properties

Compound Name1-pyrrolidin-2-ylbut-3-en-1-ol
PubChem CID72814698
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-pyrrolidin-2-ylbut-3-en-1-ol
SMILESC=CCC(O)C1CCCN1
InChIInChI=1S/C8H15NO/c1-2-4-8(10)7-5-3-6-9-7/h2,7-10H,1,3-6H2
InChIKeyIRULEIXILFZTEE-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
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-pyrrolidin-2-ylbut-3-en-1-ol?
The IUPAC name of 1-pyrrolidin-2-ylbut-3-en-1-ol (CID 72814698) is 1-pyrrolidin-2-ylbut-3-en-1-ol.
What is the SMILES notation for 1-pyrrolidin-2-ylbut-3-en-1-ol?
The canonical SMILES for 1-pyrrolidin-2-ylbut-3-en-1-ol is C=CCC(O)C1CCCN1.
What is the InChIKey of 1-pyrrolidin-2-ylbut-3-en-1-ol?
The InChIKey is IRULEIXILFZTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-4-8(10)7-5-3-6-9-7/h2,7-10H,1,3-6H2.
What are the key properties of 1-pyrrolidin-2-ylbut-3-en-1-ol?
1-pyrrolidin-2-ylbut-3-en-1-ol has a molecular weight of 141.21 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-2-ylbut-3-en-1-ol is sourced from PubChem (CID 72814698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).