(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-(4-phenylphenyl)methanone

C19H21NO2 — CID 84579717

IUPAC(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-(4-phenylphenyl)methanone
SMILESCC1(C)C(O)CCN1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21NO2/c1-19(2)17(21)12-13-20(19)18(22)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,17,21H,12-13H2,1-2H3
InChIKeyPYRXTZFAQNRNJQ-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.34
Rot. Bonds2

About (3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-(4-phenylphenyl)methanone

(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-(4-phenylphenyl)methanone (PubChem CID 84579717) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-(4-phenylphenyl)methanone
PubChem CID84579717
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-(4-phenylphenyl)methanone
SMILESCC1(C)C(O)CCN1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21NO2/c1-19(2)17(21)12-13-20(19)18(22)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,17,21H,12-13H2,1-2H3
InChIKeyPYRXTZFAQNRNJQ-UHFFFAOYSA-N
XLogP3.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-(4-phenylphenyl)methanone?
The IUPAC name of (3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-(4-phenylphenyl)methanone (CID 84579717) is (3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-(4-phenylphenyl)methanone.
What is the SMILES notation for (3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-(4-phenylphenyl)methanone?
The canonical SMILES for (3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-(4-phenylphenyl)methanone is CC1(C)C(O)CCN1C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-(4-phenylphenyl)methanone?
The InChIKey is PYRXTZFAQNRNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-19(2)17(21)12-13-20(19)18(22)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,17,21H,12-13H2,1-2H3.
What are the key properties of (3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-(4-phenylphenyl)methanone?
(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-(4-phenylphenyl)methanone has a molecular weight of 295.38 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-(4-phenylphenyl)methanone is sourced from PubChem (CID 84579717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).