2-(2-methylphenyl)pyrrolidin-3-ol;hydrochloride

C11H16ClNO — CID 115028547

IUPAC2-(2-methylphenyl)pyrrolidin-3-ol;hydrochloride
SMILESCc1ccccc1C1NCCC1O.Cl
InChIInChI=1S/C11H15NO.ClH/c1-8-4-2-3-5-9(8)11-10(13)6-7-12-11;/h2-5,10-13H,6-7H2,1H3;1H
InChIKeyQQDRGRALMKCFAV-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.81
Rot. Bonds1

About 2-(2-methylphenyl)pyrrolidin-3-ol;hydrochloride

2-(2-methylphenyl)pyrrolidin-3-ol;hydrochloride (PubChem CID 115028547) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(2-methylphenyl)pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name2-(2-methylphenyl)pyrrolidin-3-ol;hydrochloride
PubChem CID115028547
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-(2-methylphenyl)pyrrolidin-3-ol;hydrochloride
SMILESCc1ccccc1C1NCCC1O.Cl
InChIInChI=1S/C11H15NO.ClH/c1-8-4-2-3-5-9(8)11-10(13)6-7-12-11;/h2-5,10-13H,6-7H2,1H3;1H
InChIKeyQQDRGRALMKCFAV-UHFFFAOYSA-N
XLogP1.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-methylphenyl)pyrrolidin-3-ol;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 2-(2-methylphenyl)pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 2-(2-methylphenyl)pyrrolidin-3-ol;hydrochloride (CID 115028547) is 2-(2-methylphenyl)pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 2-(2-methylphenyl)pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 2-(2-methylphenyl)pyrrolidin-3-ol;hydrochloride is Cc1ccccc1C1NCCC1O.Cl.
What is the InChIKey of 2-(2-methylphenyl)pyrrolidin-3-ol;hydrochloride?
The InChIKey is QQDRGRALMKCFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-8-4-2-3-5-9(8)11-10(13)6-7-12-11;/h2-5,10-13H,6-7H2,1H3;1H.
What are the key properties of 2-(2-methylphenyl)pyrrolidin-3-ol;hydrochloride?
2-(2-methylphenyl)pyrrolidin-3-ol;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 115028547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).