3-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride

C11H16ClNO — CID 3051402

IUPAC3-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride
SMILESCc1ccc(C2(O)CCNC2)cc1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-9-2-4-10(5-3-9)11(13)6-7-12-8-11;/h2-5,12-13H,6-8H2,1H3;1H
InChIKeyCKVXGJQRCKARJU-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.60
Rot. Bonds1

About 3-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride

3-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride (PubChem CID 3051402) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 3-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride
PubChem CID3051402
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name3-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride
SMILESCc1ccc(C2(O)CCNC2)cc1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-9-2-4-10(5-3-9)11(13)6-7-12-8-11;/h2-5,12-13H,6-8H2,1H3;1H
InChIKeyCKVXGJQRCKARJU-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 3-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride (CID 3051402) is 3-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 3-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 3-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride is Cc1ccc(C2(O)CCNC2)cc1.Cl.
What is the InChIKey of 3-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride?
The InChIKey is CKVXGJQRCKARJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-9-2-4-10(5-3-9)11(13)6-7-12-8-11;/h2-5,12-13H,6-8H2,1H3;1H.
What are the key properties of 3-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride?
3-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 3051402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).