3-ethylpyrrolidin-2-ol

C6H13NO — CID 18185990

IUPAC3-ethylpyrrolidin-2-ol
SMILESCCC1CCNC1O
InChIInChI=1S/C6H13NO/c1-2-5-3-4-7-6(5)8/h5-8H,2-4H2,1H3
InChIKeyVZADTGRMMPHPRD-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.32
Rot. Bonds1

About 3-ethylpyrrolidin-2-ol

3-ethylpyrrolidin-2-ol (PubChem CID 18185990) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-ethylpyrrolidin-2-ol.

Molecular Properties

Compound Name3-ethylpyrrolidin-2-ol
PubChem CID18185990
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3-ethylpyrrolidin-2-ol
SMILESCCC1CCNC1O
InChIInChI=1S/C6H13NO/c1-2-5-3-4-7-6(5)8/h5-8H,2-4H2,1H3
InChIKeyVZADTGRMMPHPRD-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylpyrrolidin-2-ol?
The IUPAC name of 3-ethylpyrrolidin-2-ol (CID 18185990) is 3-ethylpyrrolidin-2-ol.
What is the SMILES notation for 3-ethylpyrrolidin-2-ol?
The canonical SMILES for 3-ethylpyrrolidin-2-ol is CCC1CCNC1O.
What is the InChIKey of 3-ethylpyrrolidin-2-ol?
The InChIKey is VZADTGRMMPHPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-2-5-3-4-7-6(5)8/h5-8H,2-4H2,1H3.
What are the key properties of 3-ethylpyrrolidin-2-ol?
3-ethylpyrrolidin-2-ol has a molecular weight of 115.18 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpyrrolidin-2-ol is sourced from PubChem (CID 18185990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).