3-(2-hydroxyethyl)-1,5-dimethylpyrrolidin-3-ol

C8H17NO2 — CID 178127919

IUPAC3-(2-hydroxyethyl)-1,5-dimethylpyrrolidin-3-ol
SMILESCC1CC(O)(CCO)CN1C
InChIInChI=1S/C8H17NO2/c1-7-5-8(11,3-4-10)6-9(7)2/h7,10-11H,3-6H2,1-2H3
InChIKeyAQNUEMXNAXNEPM-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.18
Rot. Bonds2

About 3-(2-hydroxyethyl)-1,5-dimethylpyrrolidin-3-ol

3-(2-hydroxyethyl)-1,5-dimethylpyrrolidin-3-ol (PubChem CID 178127919) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-1,5-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-1,5-dimethylpyrrolidin-3-ol
PubChem CID178127919
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-(2-hydroxyethyl)-1,5-dimethylpyrrolidin-3-ol
SMILESCC1CC(O)(CCO)CN1C
InChIInChI=1S/C8H17NO2/c1-7-5-8(11,3-4-10)6-9(7)2/h7,10-11H,3-6H2,1-2H3
InChIKeyAQNUEMXNAXNEPM-UHFFFAOYSA-N
XLogP-0.18
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-1,5-dimethylpyrrolidin-3-ol?
The IUPAC name of 3-(2-hydroxyethyl)-1,5-dimethylpyrrolidin-3-ol (CID 178127919) is 3-(2-hydroxyethyl)-1,5-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 3-(2-hydroxyethyl)-1,5-dimethylpyrrolidin-3-ol?
The canonical SMILES for 3-(2-hydroxyethyl)-1,5-dimethylpyrrolidin-3-ol is CC1CC(O)(CCO)CN1C.
What is the InChIKey of 3-(2-hydroxyethyl)-1,5-dimethylpyrrolidin-3-ol?
The InChIKey is AQNUEMXNAXNEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7-5-8(11,3-4-10)6-9(7)2/h7,10-11H,3-6H2,1-2H3.
What are the key properties of 3-(2-hydroxyethyl)-1,5-dimethylpyrrolidin-3-ol?
3-(2-hydroxyethyl)-1,5-dimethylpyrrolidin-3-ol has a molecular weight of 159.23 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-1,5-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 178127919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).