2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol

C7H15NO2 — CID 53211507

IUPAC2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol
SMILESOCCN1CCC(CO)C1
InChIInChI=1S/C7H15NO2/c9-4-3-8-2-1-7(5-8)6-10/h7,9-10H,1-6H2
InChIKeyYKNLJLQYYSITOS-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.71
Rot. Bonds3

About 2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol

2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol (PubChem CID 53211507) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol
PubChem CID53211507
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol
SMILESOCCN1CCC(CO)C1
InChIInChI=1S/C7H15NO2/c9-4-3-8-2-1-7(5-8)6-10/h7,9-10H,1-6H2
InChIKeyYKNLJLQYYSITOS-UHFFFAOYSA-N
XLogP-0.71
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol (CID 53211507) is 2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol is OCCN1CCC(CO)C1.
What is the InChIKey of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol?
The InChIKey is YKNLJLQYYSITOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c9-4-3-8-2-1-7(5-8)6-10/h7,9-10H,1-6H2.
What are the key properties of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol?
2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol has a molecular weight of 145.20 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 53211507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).