(3-ethylpyrrolidin-2-yl)methanol;hydrochloride

C7H16ClNO — CID 178199949

IUPAC(3-ethylpyrrolidin-2-yl)methanol;hydrochloride
SMILESCCC1CCNC1CO.Cl
InChIInChI=1S/C7H15NO.ClH/c1-2-6-3-4-8-7(6)5-9;/h6-9H,2-5H2,1H3;1H
InChIKeyWAOHBKFTVRENLA-UHFFFAOYSA-N
MW165.66 g/mol
LogP0.79
Rot. Bonds2

About (3-ethylpyrrolidin-2-yl)methanol;hydrochloride

(3-ethylpyrrolidin-2-yl)methanol;hydrochloride (PubChem CID 178199949) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is (3-ethylpyrrolidin-2-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(3-ethylpyrrolidin-2-yl)methanol;hydrochloride
PubChem CID178199949
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name(3-ethylpyrrolidin-2-yl)methanol;hydrochloride
SMILESCCC1CCNC1CO.Cl
InChIInChI=1S/C7H15NO.ClH/c1-2-6-3-4-8-7(6)5-9;/h6-9H,2-5H2,1H3;1H
InChIKeyWAOHBKFTVRENLA-UHFFFAOYSA-N
XLogP0.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3-ethylpyrrolidin-2-yl)methanol;hydrochloride 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 (3-ethylpyrrolidin-2-yl)methanol;hydrochloride?
The IUPAC name of (3-ethylpyrrolidin-2-yl)methanol;hydrochloride (CID 178199949) is (3-ethylpyrrolidin-2-yl)methanol;hydrochloride.
What is the SMILES notation for (3-ethylpyrrolidin-2-yl)methanol;hydrochloride?
The canonical SMILES for (3-ethylpyrrolidin-2-yl)methanol;hydrochloride is CCC1CCNC1CO.Cl.
What is the InChIKey of (3-ethylpyrrolidin-2-yl)methanol;hydrochloride?
The InChIKey is WAOHBKFTVRENLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-2-6-3-4-8-7(6)5-9;/h6-9H,2-5H2,1H3;1H.
What are the key properties of (3-ethylpyrrolidin-2-yl)methanol;hydrochloride?
(3-ethylpyrrolidin-2-yl)methanol;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpyrrolidin-2-yl)methanol;hydrochloride is sourced from PubChem (CID 178199949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).