2-(1-but-3-enylpyrrolidin-3-yl)ethanol

C10H19NO — CID 115648083

IUPAC2-(1-but-3-enylpyrrolidin-3-yl)ethanol
SMILESC=CCCN1CCC(CCO)C1
InChIInChI=1S/C10H19NO/c1-2-3-6-11-7-4-10(9-11)5-8-12/h2,10,12H,1,3-9H2
InChIKeyVHENNLODWWEUCG-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.27
Rot. Bonds5

About 2-(1-but-3-enylpyrrolidin-3-yl)ethanol

2-(1-but-3-enylpyrrolidin-3-yl)ethanol (PubChem CID 115648083) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(1-but-3-enylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-but-3-enylpyrrolidin-3-yl)ethanol
PubChem CID115648083
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(1-but-3-enylpyrrolidin-3-yl)ethanol
SMILESC=CCCN1CCC(CCO)C1
InChIInChI=1S/C10H19NO/c1-2-3-6-11-7-4-10(9-11)5-8-12/h2,10,12H,1,3-9H2
InChIKeyVHENNLODWWEUCG-UHFFFAOYSA-N
XLogP1.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
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 2-(1-but-3-enylpyrrolidin-3-yl)ethanol?
The IUPAC name of 2-(1-but-3-enylpyrrolidin-3-yl)ethanol (CID 115648083) is 2-(1-but-3-enylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 2-(1-but-3-enylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 2-(1-but-3-enylpyrrolidin-3-yl)ethanol is C=CCCN1CCC(CCO)C1.
What is the InChIKey of 2-(1-but-3-enylpyrrolidin-3-yl)ethanol?
The InChIKey is VHENNLODWWEUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-6-11-7-4-10(9-11)5-8-12/h2,10,12H,1,3-9H2.
What are the key properties of 2-(1-but-3-enylpyrrolidin-3-yl)ethanol?
2-(1-but-3-enylpyrrolidin-3-yl)ethanol has a molecular weight of 169.27 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-but-3-enylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 115648083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).