1-ethylpyrrolidin-3-ol;2-pyrrolidin-1-ylethanol

C12H26N2O2 — CID 22356038

IUPAC1-ethylpyrrolidin-3-ol;2-pyrrolidin-1-ylethanol
SMILESCCN1CCC(O)C1.OCCN1CCCC1
InChIInChI=1S/2C6H13NO/c1-2-7-4-3-6(8)5-7;8-6-5-7-3-1-2-4-7/h6,8H,2-5H2,1H3;8H,1-6H2
InChIKeyHODUYSOLFSPMRF-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.15
Rot. Bonds3

About 1-ethylpyrrolidin-3-ol;2-pyrrolidin-1-ylethanol

1-ethylpyrrolidin-3-ol;2-pyrrolidin-1-ylethanol (PubChem CID 22356038) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-ethylpyrrolidin-3-ol;2-pyrrolidin-1-ylethanol.

Molecular Properties

Compound Name1-ethylpyrrolidin-3-ol;2-pyrrolidin-1-ylethanol
PubChem CID22356038
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-ethylpyrrolidin-3-ol;2-pyrrolidin-1-ylethanol
SMILESCCN1CCC(O)C1.OCCN1CCCC1
InChIInChI=1S/2C6H13NO/c1-2-7-4-3-6(8)5-7;8-6-5-7-3-1-2-4-7/h6,8H,2-5H2,1H3;8H,1-6H2
InChIKeyHODUYSOLFSPMRF-UHFFFAOYSA-N
XLogP0.15
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-ethylpyrrolidin-3-ol;2-pyrrolidin-1-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrrolidin-3-ol;2-pyrrolidin-1-ylethanol?
The IUPAC name of 1-ethylpyrrolidin-3-ol;2-pyrrolidin-1-ylethanol (CID 22356038) is 1-ethylpyrrolidin-3-ol;2-pyrrolidin-1-ylethanol.
What is the SMILES notation for 1-ethylpyrrolidin-3-ol;2-pyrrolidin-1-ylethanol?
The canonical SMILES for 1-ethylpyrrolidin-3-ol;2-pyrrolidin-1-ylethanol is CCN1CCC(O)C1.OCCN1CCCC1.
What is the InChIKey of 1-ethylpyrrolidin-3-ol;2-pyrrolidin-1-ylethanol?
The InChIKey is HODUYSOLFSPMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13NO/c1-2-7-4-3-6(8)5-7;8-6-5-7-3-1-2-4-7/h6,8H,2-5H2,1H3;8H,1-6H2.
What are the key properties of 1-ethylpyrrolidin-3-ol;2-pyrrolidin-1-ylethanol?
1-ethylpyrrolidin-3-ol;2-pyrrolidin-1-ylethanol has a molecular weight of 230.35 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrrolidin-3-ol;2-pyrrolidin-1-ylethanol is sourced from PubChem (CID 22356038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).