3-(4-chlorophenyl)-2-ethyl-5-methylpyrrolidin-3-ol;hydrochloride

C13H19Cl2NO — CID 3051539

IUPAC3-(4-chlorophenyl)-2-ethyl-5-methylpyrrolidin-3-ol;hydrochloride
SMILESCCC1NC(C)CC1(O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H18ClNO.ClH/c1-3-12-13(16,8-9(2)15-12)10-4-6-11(14)7-5-10;/h4-7,9,12,15-16H,3,8H2,1-2H3;1H
InChIKeyDHJMCGZBYCPECC-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.11
Rot. Bonds2

About 3-(4-chlorophenyl)-2-ethyl-5-methylpyrrolidin-3-ol;hydrochloride

3-(4-chlorophenyl)-2-ethyl-5-methylpyrrolidin-3-ol;hydrochloride (PubChem CID 3051539) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-ethyl-5-methylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-ethyl-5-methylpyrrolidin-3-ol;hydrochloride
PubChem CID3051539
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name3-(4-chlorophenyl)-2-ethyl-5-methylpyrrolidin-3-ol;hydrochloride
SMILESCCC1NC(C)CC1(O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H18ClNO.ClH/c1-3-12-13(16,8-9(2)15-12)10-4-6-11(14)7-5-10;/h4-7,9,12,15-16H,3,8H2,1-2H3;1H
InChIKeyDHJMCGZBYCPECC-UHFFFAOYSA-N
XLogP3.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-ethyl-5-methylpyrrolidin-3-ol;hydrochloride?
The IUPAC name of 3-(4-chlorophenyl)-2-ethyl-5-methylpyrrolidin-3-ol;hydrochloride (CID 3051539) is 3-(4-chlorophenyl)-2-ethyl-5-methylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 3-(4-chlorophenyl)-2-ethyl-5-methylpyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 3-(4-chlorophenyl)-2-ethyl-5-methylpyrrolidin-3-ol;hydrochloride is CCC1NC(C)CC1(O)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 3-(4-chlorophenyl)-2-ethyl-5-methylpyrrolidin-3-ol;hydrochloride?
The InChIKey is DHJMCGZBYCPECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO.ClH/c1-3-12-13(16,8-9(2)15-12)10-4-6-11(14)7-5-10;/h4-7,9,12,15-16H,3,8H2,1-2H3;1H.
What are the key properties of 3-(4-chlorophenyl)-2-ethyl-5-methylpyrrolidin-3-ol;hydrochloride?
3-(4-chlorophenyl)-2-ethyl-5-methylpyrrolidin-3-ol;hydrochloride has a molecular weight of 276.21 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-ethyl-5-methylpyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 3051539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).