2-(3-hydroxyphenyl)-2-methylpyrrolidin-3-one;hydrochloride

C11H14ClNO2 — CID 115036395

IUPAC2-(3-hydroxyphenyl)-2-methylpyrrolidin-3-one;hydrochloride
SMILESCC1(c2cccc(O)c2)NCCC1=O.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-11(10(14)5-6-12-11)8-3-2-4-9(13)7-8;/h2-4,7,12-13H,5-6H2,1H3;1H
InChIKeyLBRONWXXDUSYHH-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.59
Rot. Bonds1

About 2-(3-hydroxyphenyl)-2-methylpyrrolidin-3-one;hydrochloride

2-(3-hydroxyphenyl)-2-methylpyrrolidin-3-one;hydrochloride (PubChem CID 115036395) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-2-methylpyrrolidin-3-one;hydrochloride.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-2-methylpyrrolidin-3-one;hydrochloride
PubChem CID115036395
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-(3-hydroxyphenyl)-2-methylpyrrolidin-3-one;hydrochloride
SMILESCC1(c2cccc(O)c2)NCCC1=O.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-11(10(14)5-6-12-11)8-3-2-4-9(13)7-8;/h2-4,7,12-13H,5-6H2,1H3;1H
InChIKeyLBRONWXXDUSYHH-UHFFFAOYSA-N
XLogP1.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-2-methylpyrrolidin-3-one;hydrochloride?
The IUPAC name of 2-(3-hydroxyphenyl)-2-methylpyrrolidin-3-one;hydrochloride (CID 115036395) is 2-(3-hydroxyphenyl)-2-methylpyrrolidin-3-one;hydrochloride.
What is the SMILES notation for 2-(3-hydroxyphenyl)-2-methylpyrrolidin-3-one;hydrochloride?
The canonical SMILES for 2-(3-hydroxyphenyl)-2-methylpyrrolidin-3-one;hydrochloride is CC1(c2cccc(O)c2)NCCC1=O.Cl.
What is the InChIKey of 2-(3-hydroxyphenyl)-2-methylpyrrolidin-3-one;hydrochloride?
The InChIKey is LBRONWXXDUSYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c1-11(10(14)5-6-12-11)8-3-2-4-9(13)7-8;/h2-4,7,12-13H,5-6H2,1H3;1H.
What are the key properties of 2-(3-hydroxyphenyl)-2-methylpyrrolidin-3-one;hydrochloride?
2-(3-hydroxyphenyl)-2-methylpyrrolidin-3-one;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-2-methylpyrrolidin-3-one;hydrochloride is sourced from PubChem (CID 115036395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).