4-ethylpyrrolidin-3-ol

C6H13NO — CID 54549521

IUPAC4-ethylpyrrolidin-3-ol
SMILESCCC1CNCC1O
InChIInChI=1S/C6H13NO/c1-2-5-3-7-4-6(5)8/h5-8H,2-4H2,1H3
InChIKeyZIXJBZRHEOKPLP-UHFFFAOYSA-N
MW115.18 g/mol
LogP-0.02
Rot. Bonds1

About 4-ethylpyrrolidin-3-ol

4-ethylpyrrolidin-3-ol (PubChem CID 54549521) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 4-ethylpyrrolidin-3-ol.

Molecular Properties

Compound Name4-ethylpyrrolidin-3-ol
PubChem CID54549521
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name4-ethylpyrrolidin-3-ol
SMILESCCC1CNCC1O
InChIInChI=1S/C6H13NO/c1-2-5-3-7-4-6(5)8/h5-8H,2-4H2,1H3
InChIKeyZIXJBZRHEOKPLP-UHFFFAOYSA-N
XLogP-0.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethylpyrrolidin-3-ol?
The IUPAC name of 4-ethylpyrrolidin-3-ol (CID 54549521) is 4-ethylpyrrolidin-3-ol.
What is the SMILES notation for 4-ethylpyrrolidin-3-ol?
The canonical SMILES for 4-ethylpyrrolidin-3-ol is CCC1CNCC1O.
What is the InChIKey of 4-ethylpyrrolidin-3-ol?
The InChIKey is ZIXJBZRHEOKPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-2-5-3-7-4-6(5)8/h5-8H,2-4H2,1H3.
What are the key properties of 4-ethylpyrrolidin-3-ol?
4-ethylpyrrolidin-3-ol has a molecular weight of 115.18 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylpyrrolidin-3-ol is sourced from PubChem (CID 54549521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).