2-[4-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]phenyl]acetonitrile

C19H16N2O2 — CID 110457877

IUPAC2-[4-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]phenyl]acetonitrile
SMILESN#CCc1ccc(CC2CC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C19H16N2O2/c20-11-10-14-6-8-15(9-7-14)12-16-13-18(22)21(19(16)23)17-4-2-1-3-5-17/h1-9,16H,10,12-13H2
InChIKeyGRHYFLCHOYTRTL-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.87
Rot. Bonds4

About 2-[4-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]phenyl]acetonitrile

2-[4-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]phenyl]acetonitrile (PubChem CID 110457877) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[4-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]phenyl]acetonitrile
PubChem CID110457877
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name2-[4-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]phenyl]acetonitrile
SMILESN#CCc1ccc(CC2CC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C19H16N2O2/c20-11-10-14-6-8-15(9-7-14)12-16-13-18(22)21(19(16)23)17-4-2-1-3-5-17/h1-9,16H,10,12-13H2
InChIKeyGRHYFLCHOYTRTL-UHFFFAOYSA-N
XLogP2.87
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]phenyl]acetonitrile (CID 110457877) is 2-[4-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]phenyl]acetonitrile is N#CCc1ccc(CC2CC(=O)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of 2-[4-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]phenyl]acetonitrile?
The InChIKey is GRHYFLCHOYTRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c20-11-10-14-6-8-15(9-7-14)12-16-13-18(22)21(19(16)23)17-4-2-1-3-5-17/h1-9,16H,10,12-13H2.
What are the key properties of 2-[4-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]phenyl]acetonitrile?
2-[4-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]phenyl]acetonitrile has a molecular weight of 304.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)methyl]phenyl]acetonitrile is sourced from PubChem (CID 110457877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).