2,5-dimethyl-3-phenylpyrrolidin-3-ol;hydrochloride

C12H18ClNO — CID 3051569

IUPAC2,5-dimethyl-3-phenylpyrrolidin-3-ol;hydrochloride
SMILESCC1CC(O)(c2ccccc2)C(C)N1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-9-8-12(14,10(2)13-9)11-6-4-3-5-7-11;/h3-7,9-10,13-14H,8H2,1-2H3;1H
InChIKeyNKDWRYOUSGSNJJ-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.07
Rot. Bonds1

About 2,5-dimethyl-3-phenylpyrrolidin-3-ol;hydrochloride

2,5-dimethyl-3-phenylpyrrolidin-3-ol;hydrochloride (PubChem CID 3051569) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 2,5-dimethyl-3-phenylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name2,5-dimethyl-3-phenylpyrrolidin-3-ol;hydrochloride
PubChem CID3051569
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name2,5-dimethyl-3-phenylpyrrolidin-3-ol;hydrochloride
SMILESCC1CC(O)(c2ccccc2)C(C)N1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-9-8-12(14,10(2)13-9)11-6-4-3-5-7-11;/h3-7,9-10,13-14H,8H2,1-2H3;1H
InChIKeyNKDWRYOUSGSNJJ-UHFFFAOYSA-N
XLogP2.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-phenylpyrrolidin-3-ol;hydrochloride?
The IUPAC name of 2,5-dimethyl-3-phenylpyrrolidin-3-ol;hydrochloride (CID 3051569) is 2,5-dimethyl-3-phenylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 2,5-dimethyl-3-phenylpyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 2,5-dimethyl-3-phenylpyrrolidin-3-ol;hydrochloride is CC1CC(O)(c2ccccc2)C(C)N1.Cl.
What is the InChIKey of 2,5-dimethyl-3-phenylpyrrolidin-3-ol;hydrochloride?
The InChIKey is NKDWRYOUSGSNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-9-8-12(14,10(2)13-9)11-6-4-3-5-7-11;/h3-7,9-10,13-14H,8H2,1-2H3;1H.
What are the key properties of 2,5-dimethyl-3-phenylpyrrolidin-3-ol;hydrochloride?
2,5-dimethyl-3-phenylpyrrolidin-3-ol;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-phenylpyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 3051569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).