4-but-3-enyl-4-ethylpyrrolidin-2-ol

C10H19NO — CID 134202368

IUPAC4-but-3-enyl-4-ethylpyrrolidin-2-ol
SMILESC=CCCC1(CC)CNC(O)C1
InChIInChI=1S/C10H19NO/c1-3-5-6-10(4-2)7-9(12)11-8-10/h3,9,11-12H,1,4-8H2,2H3
InChIKeyMCJXUEQRFNSLFO-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.66
Rot. Bonds4

About 4-but-3-enyl-4-ethylpyrrolidin-2-ol

4-but-3-enyl-4-ethylpyrrolidin-2-ol (PubChem CID 134202368) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-but-3-enyl-4-ethylpyrrolidin-2-ol.

Molecular Properties

Compound Name4-but-3-enyl-4-ethylpyrrolidin-2-ol
PubChem CID134202368
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-but-3-enyl-4-ethylpyrrolidin-2-ol
SMILESC=CCCC1(CC)CNC(O)C1
InChIInChI=1S/C10H19NO/c1-3-5-6-10(4-2)7-9(12)11-8-10/h3,9,11-12H,1,4-8H2,2H3
InChIKeyMCJXUEQRFNSLFO-UHFFFAOYSA-N
XLogP1.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.66
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 4-but-3-enyl-4-ethylpyrrolidin-2-ol?
The IUPAC name of 4-but-3-enyl-4-ethylpyrrolidin-2-ol (CID 134202368) is 4-but-3-enyl-4-ethylpyrrolidin-2-ol.
What is the SMILES notation for 4-but-3-enyl-4-ethylpyrrolidin-2-ol?
The canonical SMILES for 4-but-3-enyl-4-ethylpyrrolidin-2-ol is C=CCCC1(CC)CNC(O)C1.
What is the InChIKey of 4-but-3-enyl-4-ethylpyrrolidin-2-ol?
The InChIKey is MCJXUEQRFNSLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-5-6-10(4-2)7-9(12)11-8-10/h3,9,11-12H,1,4-8H2,2H3.
What are the key properties of 4-but-3-enyl-4-ethylpyrrolidin-2-ol?
4-but-3-enyl-4-ethylpyrrolidin-2-ol has a molecular weight of 169.27 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enyl-4-ethylpyrrolidin-2-ol is sourced from PubChem (CID 134202368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).