2-(1-propylpyrrolidin-3-yl)ethanol

C9H19NO — CID 83981055

IUPAC2-(1-propylpyrrolidin-3-yl)ethanol
SMILESCCCN1CCC(CCO)C1
InChIInChI=1S/C9H19NO/c1-2-5-10-6-3-9(8-10)4-7-11/h9,11H,2-8H2,1H3
InChIKeyKYFGBRKLODJBRJ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.10
Rot. Bonds4

About 2-(1-propylpyrrolidin-3-yl)ethanol

2-(1-propylpyrrolidin-3-yl)ethanol (PubChem CID 83981055) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(1-propylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-propylpyrrolidin-3-yl)ethanol
PubChem CID83981055
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-(1-propylpyrrolidin-3-yl)ethanol
SMILESCCCN1CCC(CCO)C1
InChIInChI=1S/C9H19NO/c1-2-5-10-6-3-9(8-10)4-7-11/h9,11H,2-8H2,1H3
InChIKeyKYFGBRKLODJBRJ-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propylpyrrolidin-3-yl)ethanol?
The IUPAC name of 2-(1-propylpyrrolidin-3-yl)ethanol (CID 83981055) is 2-(1-propylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 2-(1-propylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 2-(1-propylpyrrolidin-3-yl)ethanol is CCCN1CCC(CCO)C1.
What is the InChIKey of 2-(1-propylpyrrolidin-3-yl)ethanol?
The InChIKey is KYFGBRKLODJBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-5-10-6-3-9(8-10)4-7-11/h9,11H,2-8H2,1H3.
What are the key properties of 2-(1-propylpyrrolidin-3-yl)ethanol?
2-(1-propylpyrrolidin-3-yl)ethanol has a molecular weight of 157.26 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 83981055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).