3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]benzonitrile

C20H20N2O2 — CID 51926331

IUPAC3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]benzonitrile
SMILESCCOc1ccc([C@H]2CCCN2C(=O)c2cccc(C#N)c2)cc1
InChIInChI=1S/C20H20N2O2/c1-2-24-18-10-8-16(9-11-18)19-7-4-12-22(19)20(23)17-6-3-5-15(13-17)14-21/h3,5-6,8-11,13,19H,2,4,7,12H2,1H3/t19-/m1/s1
InChIKeyOCRDMGGPSHUVAT-LJQANCHMSA-N
MW320.39 g/mol
LogP3.93
Rot. Bonds4

About 3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]benzonitrile

3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]benzonitrile (PubChem CID 51926331) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]benzonitrile.

Molecular Properties

Compound Name3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]benzonitrile
PubChem CID51926331
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]benzonitrile
SMILESCCOc1ccc([C@H]2CCCN2C(=O)c2cccc(C#N)c2)cc1
InChIInChI=1S/C20H20N2O2/c1-2-24-18-10-8-16(9-11-18)19-7-4-12-22(19)20(23)17-6-3-5-15(13-17)14-21/h3,5-6,8-11,13,19H,2,4,7,12H2,1H3/t19-/m1/s1
InChIKeyOCRDMGGPSHUVAT-LJQANCHMSA-N
XLogP3.93
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide
CID 134048762
3-[2-(3,5-dimethylphenyl)pyrrolidine-1-carbonyl]benzonitrile
CID 86951387
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 51257049
(3-bromo-4-methoxyphenyl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46421562
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 47803445
[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 124602381
3-(2-formylpyrrolidine-1-carbonyl)benzonitrile
CID 146357937
2-chloro-5-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 46637688
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 112806435
3-(2,3-dimethylpiperidine-1-carbonyl)benzonitrile
CID 62125197
3-[2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 47176526
[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]urea
CID 46699396

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]benzonitrile?
The IUPAC name of 3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]benzonitrile (CID 51926331) is 3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]benzonitrile.
What is the SMILES notation for 3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]benzonitrile?
The canonical SMILES for 3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]benzonitrile is CCOc1ccc([C@H]2CCCN2C(=O)c2cccc(C#N)c2)cc1.
What is the InChIKey of 3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]benzonitrile?
The InChIKey is OCRDMGGPSHUVAT-LJQANCHMSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-2-24-18-10-8-16(9-11-18)19-7-4-12-22(19)20(23)17-6-3-5-15(13-17)14-21/h3,5-6,8-11,13,19H,2,4,7,12H2,1H3/t19-/m1/s1.
What are the key properties of 3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]benzonitrile?
3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]benzonitrile has a molecular weight of 320.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]benzonitrile is sourced from PubChem (CID 51926331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).