1-(2-methoxybenzoyl)-2-phenylpyrrolidine-2-carbonitrile

C19H18N2O2 — CID 659881

IUPAC1-(2-methoxybenzoyl)-2-phenylpyrrolidine-2-carbonitrile
SMILESCOc1ccccc1C(=O)N1CCCC1(C#N)c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-23-17-11-6-5-10-16(17)18(22)21-13-7-12-19(21,14-20)15-8-3-2-4-9-15/h2-6,8-11H,7,12-13H2,1H3
InChIKeyBCGIQAFZBGYUFU-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.35
Rot. Bonds3

About 1-(2-methoxybenzoyl)-2-phenylpyrrolidine-2-carbonitrile

1-(2-methoxybenzoyl)-2-phenylpyrrolidine-2-carbonitrile (PubChem CID 659881) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(2-methoxybenzoyl)-2-phenylpyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-(2-methoxybenzoyl)-2-phenylpyrrolidine-2-carbonitrile
PubChem CID659881
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-(2-methoxybenzoyl)-2-phenylpyrrolidine-2-carbonitrile
SMILESCOc1ccccc1C(=O)N1CCCC1(C#N)c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-23-17-11-6-5-10-16(17)18(22)21-13-7-12-19(21,14-20)15-8-3-2-4-9-15/h2-6,8-11H,7,12-13H2,1H3
InChIKeyBCGIQAFZBGYUFU-UHFFFAOYSA-N
XLogP3.35
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxybenzoyl)-2-phenylpyrrolidine-2-carbonitrile?
The IUPAC name of 1-(2-methoxybenzoyl)-2-phenylpyrrolidine-2-carbonitrile (CID 659881) is 1-(2-methoxybenzoyl)-2-phenylpyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-(2-methoxybenzoyl)-2-phenylpyrrolidine-2-carbonitrile?
The canonical SMILES for 1-(2-methoxybenzoyl)-2-phenylpyrrolidine-2-carbonitrile is COc1ccccc1C(=O)N1CCCC1(C#N)c1ccccc1.
What is the InChIKey of 1-(2-methoxybenzoyl)-2-phenylpyrrolidine-2-carbonitrile?
The InChIKey is BCGIQAFZBGYUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-23-17-11-6-5-10-16(17)18(22)21-13-7-12-19(21,14-20)15-8-3-2-4-9-15/h2-6,8-11H,7,12-13H2,1H3.
What are the key properties of 1-(2-methoxybenzoyl)-2-phenylpyrrolidine-2-carbonitrile?
1-(2-methoxybenzoyl)-2-phenylpyrrolidine-2-carbonitrile has a molecular weight of 306.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxybenzoyl)-2-phenylpyrrolidine-2-carbonitrile is sourced from PubChem (CID 659881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).