(2R)-1-(4-methoxyphenyl)-5-oxo-2-(2-phenylmethoxyphenyl)pyrrolidine-2-carbonitrile

C25H22N2O3 — CID 1214293

IUPAC(2R)-1-(4-methoxyphenyl)-5-oxo-2-(2-phenylmethoxyphenyl)pyrrolidine-2-carbonitrile
SMILESCOc1ccc(N2C(=O)CC[C@]2(C#N)c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C25H22N2O3/c1-29-21-13-11-20(12-14-21)27-24(28)15-16-25(27,18-26)22-9-5-6-10-23(22)30-17-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3/t25-/m0/s1
InChIKeyXXHDZRIDCZDFGQ-VWLOTQADSA-N
MW398.46 g/mol
LogP4.82
Rot. Bonds6

About (2R)-1-(4-methoxyphenyl)-5-oxo-2-(2-phenylmethoxyphenyl)pyrrolidine-2-carbonitrile

(2R)-1-(4-methoxyphenyl)-5-oxo-2-(2-phenylmethoxyphenyl)pyrrolidine-2-carbonitrile (PubChem CID 1214293) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is (2R)-1-(4-methoxyphenyl)-5-oxo-2-(2-phenylmethoxyphenyl)pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2R)-1-(4-methoxyphenyl)-5-oxo-2-(2-phenylmethoxyphenyl)pyrrolidine-2-carbonitrile
PubChem CID1214293
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name(2R)-1-(4-methoxyphenyl)-5-oxo-2-(2-phenylmethoxyphenyl)pyrrolidine-2-carbonitrile
SMILESCOc1ccc(N2C(=O)CC[C@]2(C#N)c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C25H22N2O3/c1-29-21-13-11-20(12-14-21)27-24(28)15-16-25(27,18-26)22-9-5-6-10-23(22)30-17-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3/t25-/m0/s1
InChIKeyXXHDZRIDCZDFGQ-VWLOTQADSA-N
XLogP4.82
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methoxyphenyl)-5-oxo-2-(2-phenylmethoxyphenyl)pyrrolidine-2-carbonitrile?
The IUPAC name of (2R)-1-(4-methoxyphenyl)-5-oxo-2-(2-phenylmethoxyphenyl)pyrrolidine-2-carbonitrile (CID 1214293) is (2R)-1-(4-methoxyphenyl)-5-oxo-2-(2-phenylmethoxyphenyl)pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2R)-1-(4-methoxyphenyl)-5-oxo-2-(2-phenylmethoxyphenyl)pyrrolidine-2-carbonitrile?
The canonical SMILES for (2R)-1-(4-methoxyphenyl)-5-oxo-2-(2-phenylmethoxyphenyl)pyrrolidine-2-carbonitrile is COc1ccc(N2C(=O)CC[C@]2(C#N)c2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of (2R)-1-(4-methoxyphenyl)-5-oxo-2-(2-phenylmethoxyphenyl)pyrrolidine-2-carbonitrile?
The InChIKey is XXHDZRIDCZDFGQ-VWLOTQADSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-29-21-13-11-20(12-14-21)27-24(28)15-16-25(27,18-26)22-9-5-6-10-23(22)30-17-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3/t25-/m0/s1.
What are the key properties of (2R)-1-(4-methoxyphenyl)-5-oxo-2-(2-phenylmethoxyphenyl)pyrrolidine-2-carbonitrile?
(2R)-1-(4-methoxyphenyl)-5-oxo-2-(2-phenylmethoxyphenyl)pyrrolidine-2-carbonitrile has a molecular weight of 398.46 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methoxyphenyl)-5-oxo-2-(2-phenylmethoxyphenyl)pyrrolidine-2-carbonitrile is sourced from PubChem (CID 1214293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).