2-(4-bromophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-2-carbonitrile

C18H15BrN2O2 — CID 3301345

IUPAC2-(4-bromophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-2-carbonitrile
SMILESCOc1ccccc1N1C(=O)CCC1(C#N)c1ccc(Br)cc1
InChIInChI=1S/C18H15BrN2O2/c1-23-16-5-3-2-4-15(16)21-17(22)10-11-18(21,12-20)13-6-8-14(19)9-7-13/h2-9H,10-11H2,1H3
InChIKeyVMYXOSOIEJLBEE-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.00
Rot. Bonds3

About 2-(4-bromophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-2-carbonitrile

2-(4-bromophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-2-carbonitrile (PubChem CID 3301345) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-2-carbonitrile
PubChem CID3301345
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Name2-(4-bromophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-2-carbonitrile
SMILESCOc1ccccc1N1C(=O)CCC1(C#N)c1ccc(Br)cc1
InChIInChI=1S/C18H15BrN2O2/c1-23-16-5-3-2-4-15(16)21-17(22)10-11-18(21,12-20)13-6-8-14(19)9-7-13/h2-9H,10-11H2,1H3
InChIKeyVMYXOSOIEJLBEE-UHFFFAOYSA-N
XLogP4.00
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-2-carbonitrile?
The IUPAC name of 2-(4-bromophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-2-carbonitrile (CID 3301345) is 2-(4-bromophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-2-carbonitrile.
What is the SMILES notation for 2-(4-bromophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-2-carbonitrile?
The canonical SMILES for 2-(4-bromophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-2-carbonitrile is COc1ccccc1N1C(=O)CCC1(C#N)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-2-carbonitrile?
The InChIKey is VMYXOSOIEJLBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c1-23-16-5-3-2-4-15(16)21-17(22)10-11-18(21,12-20)13-6-8-14(19)9-7-13/h2-9H,10-11H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-2-carbonitrile?
2-(4-bromophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-2-carbonitrile has a molecular weight of 371.23 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-2-carbonitrile is sourced from PubChem (CID 3301345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).