2-(1-pent-4-enylpyrrolidin-3-yl)ethanol

C11H21NO — CID 115648268

IUPAC2-(1-pent-4-enylpyrrolidin-3-yl)ethanol
SMILESC=CCCCN1CCC(CCO)C1
InChIInChI=1S/C11H21NO/c1-2-3-4-7-12-8-5-11(10-12)6-9-13/h2,11,13H,1,3-10H2
InChIKeyGLKQWPYKZDEVIF-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.66
Rot. Bonds6

About 2-(1-pent-4-enylpyrrolidin-3-yl)ethanol

2-(1-pent-4-enylpyrrolidin-3-yl)ethanol (PubChem CID 115648268) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(1-pent-4-enylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-pent-4-enylpyrrolidin-3-yl)ethanol
PubChem CID115648268
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(1-pent-4-enylpyrrolidin-3-yl)ethanol
SMILESC=CCCCN1CCC(CCO)C1
InChIInChI=1S/C11H21NO/c1-2-3-4-7-12-8-5-11(10-12)6-9-13/h2,11,13H,1,3-10H2
InChIKeyGLKQWPYKZDEVIF-UHFFFAOYSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-pent-4-enylpyrrolidin-3-yl)ethanol?
The IUPAC name of 2-(1-pent-4-enylpyrrolidin-3-yl)ethanol (CID 115648268) is 2-(1-pent-4-enylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 2-(1-pent-4-enylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 2-(1-pent-4-enylpyrrolidin-3-yl)ethanol is C=CCCCN1CCC(CCO)C1.
What is the InChIKey of 2-(1-pent-4-enylpyrrolidin-3-yl)ethanol?
The InChIKey is GLKQWPYKZDEVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-4-7-12-8-5-11(10-12)6-9-13/h2,11,13H,1,3-10H2.
What are the key properties of 2-(1-pent-4-enylpyrrolidin-3-yl)ethanol?
2-(1-pent-4-enylpyrrolidin-3-yl)ethanol has a molecular weight of 183.29 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pent-4-enylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 115648268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).