3-(3,4-dichlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride

C11H14Cl3NO — CID 3051565

IUPAC3-(3,4-dichlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride
SMILESCC1NCCC1(O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C11H13Cl2NO.ClH/c1-7-11(15,4-5-14-7)8-2-3-9(12)10(13)6-8;/h2-3,6-7,14-15H,4-5H2,1H3;1H
InChIKeyWECKVPDFKUSCAG-UHFFFAOYSA-N
MW282.60 g/mol
LogP2.98
Rot. Bonds1

About 3-(3,4-dichlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride

3-(3,4-dichlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride (PubChem CID 3051565) has the molecular formula C11H14Cl3NO and a molecular weight of 282.60 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride
PubChem CID3051565
Molecular FormulaC11H14Cl3NO
Molecular Weight282.60 g/mol
Exact Mass281.01
IUPAC Name3-(3,4-dichlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride
SMILESCC1NCCC1(O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C11H13Cl2NO.ClH/c1-7-11(15,4-5-14-7)8-2-3-9(12)10(13)6-8;/h2-3,6-7,14-15H,4-5H2,1H3;1H
InChIKeyWECKVPDFKUSCAG-UHFFFAOYSA-N
XLogP2.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.60
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride?
The IUPAC name of 3-(3,4-dichlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride (CID 3051565) is 3-(3,4-dichlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 3-(3,4-dichlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride is CC1NCCC1(O)c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 3-(3,4-dichlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride?
The InChIKey is WECKVPDFKUSCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO.ClH/c1-7-11(15,4-5-14-7)8-2-3-9(12)10(13)6-8;/h2-3,6-7,14-15H,4-5H2,1H3;1H.
What are the key properties of 3-(3,4-dichlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride?
3-(3,4-dichlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride has a molecular weight of 282.60 g/mol, XLogP of 2.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 3051565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).