2-[4-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]phenyl]acetonitrile

C15H15N3O2 — CID 61061098

IUPAC2-[4-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]phenyl]acetonitrile
SMILESN#CCc1ccc(NC2CC(=O)N(C3CC3)C2=O)cc1
InChIInChI=1S/C15H15N3O2/c16-8-7-10-1-3-11(4-2-10)17-13-9-14(19)18(15(13)20)12-5-6-12/h1-4,12-13,17H,5-7,9H2
InChIKeyFUYUGUKOBXLOQA-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.45
Rot. Bonds4

About 2-[4-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]phenyl]acetonitrile

2-[4-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]phenyl]acetonitrile (PubChem CID 61061098) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[4-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]phenyl]acetonitrile
PubChem CID61061098
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-[4-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]phenyl]acetonitrile
SMILESN#CCc1ccc(NC2CC(=O)N(C3CC3)C2=O)cc1
InChIInChI=1S/C15H15N3O2/c16-8-7-10-1-3-11(4-2-10)17-13-9-14(19)18(15(13)20)12-5-6-12/h1-4,12-13,17H,5-7,9H2
InChIKeyFUYUGUKOBXLOQA-UHFFFAOYSA-N
XLogP1.45
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]phenyl]acetonitrile (CID 61061098) is 2-[4-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]phenyl]acetonitrile is N#CCc1ccc(NC2CC(=O)N(C3CC3)C2=O)cc1.
What is the InChIKey of 2-[4-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]phenyl]acetonitrile?
The InChIKey is FUYUGUKOBXLOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-8-7-10-1-3-11(4-2-10)17-13-9-14(19)18(15(13)20)12-5-6-12/h1-4,12-13,17H,5-7,9H2.
What are the key properties of 2-[4-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]phenyl]acetonitrile?
2-[4-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]phenyl]acetonitrile has a molecular weight of 269.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]phenyl]acetonitrile is sourced from PubChem (CID 61061098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).