2-methyl-3-phenylpyrrolidin-3-ol;hydrochloride

C11H16ClNO — CID 3051393

IUPAC2-methyl-3-phenylpyrrolidin-3-ol;hydrochloride
SMILESCC1NCCC1(O)c1ccccc1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-9-11(13,7-8-12-9)10-5-3-2-4-6-10;/h2-6,9,12-13H,7-8H2,1H3;1H
InChIKeyVYHVKDVEVWIHKD-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.68
Rot. Bonds1

About 2-methyl-3-phenylpyrrolidin-3-ol;hydrochloride

2-methyl-3-phenylpyrrolidin-3-ol;hydrochloride (PubChem CID 3051393) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-methyl-3-phenylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-phenylpyrrolidin-3-ol;hydrochloride
PubChem CID3051393
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-methyl-3-phenylpyrrolidin-3-ol;hydrochloride
SMILESCC1NCCC1(O)c1ccccc1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-9-11(13,7-8-12-9)10-5-3-2-4-6-10;/h2-6,9,12-13H,7-8H2,1H3;1H
InChIKeyVYHVKDVEVWIHKD-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenylpyrrolidin-3-ol;hydrochloride?
The IUPAC name of 2-methyl-3-phenylpyrrolidin-3-ol;hydrochloride (CID 3051393) is 2-methyl-3-phenylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 2-methyl-3-phenylpyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 2-methyl-3-phenylpyrrolidin-3-ol;hydrochloride is CC1NCCC1(O)c1ccccc1.Cl.
What is the InChIKey of 2-methyl-3-phenylpyrrolidin-3-ol;hydrochloride?
The InChIKey is VYHVKDVEVWIHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-9-11(13,7-8-12-9)10-5-3-2-4-6-10;/h2-6,9,12-13H,7-8H2,1H3;1H.
What are the key properties of 2-methyl-3-phenylpyrrolidin-3-ol;hydrochloride?
2-methyl-3-phenylpyrrolidin-3-ol;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenylpyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 3051393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).