4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile

C15H17N3O3 — CID 104848482

IUPAC4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile
SMILESCCCN1C(=O)CC(Nc2ccc(C#N)cc2OC)C1=O
InChIInChI=1S/C15H17N3O3/c1-3-6-18-14(19)8-12(15(18)20)17-11-5-4-10(9-16)7-13(11)21-2/h4-5,7,12,17H,3,6,8H2,1-2H3
InChIKeyWABYFVBBUJRBTA-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.52
Rot. Bonds5

About 4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile

4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile (PubChem CID 104848482) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile
PubChem CID104848482
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile
SMILESCCCN1C(=O)CC(Nc2ccc(C#N)cc2OC)C1=O
InChIInChI=1S/C15H17N3O3/c1-3-6-18-14(19)8-12(15(18)20)17-11-5-4-10(9-16)7-13(11)21-2/h4-5,7,12,17H,3,6,8H2,1-2H3
InChIKeyWABYFVBBUJRBTA-UHFFFAOYSA-N
XLogP1.52
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]benzonitrile
CID 107797790
2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-6-fluorobenzonitrile
CID 43636859
3-(5-bromo-2,4-difluoroanilino)-1-propylpyrrolidine-2,5-dione
CID 102853277
4-amino-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzonitrile
CID 104712079
3-(4-tert-butylanilino)-1-propylpyrrolidine-2,5-dione
CID 43636391
1-propyl-3-(3,4,5-trifluoroanilino)pyrrolidine-2,5-dione
CID 62809172
3-(5-bromo-4-fluoro-2-methylanilino)-1-propylpyrrolidine-2,5-dione
CID 107591763
N-(4-cyano-2-methoxyphenyl)-2-methylpentanamide
CID 104848955
4-hydrazinyl-3-methoxybenzonitrile
CID 53404328
ethane;3-methoxy-4-(methylamino)benzonitrile
CID 176701430
4-(heptylamino)-3-methoxybenzonitrile
CID 104848308
3-(4-cyano-2-methoxyanilino)-3-oxopropanoic acid
CID 104850039

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile?
The IUPAC name of 4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile (CID 104848482) is 4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile.
What is the SMILES notation for 4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile?
The canonical SMILES for 4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile is CCCN1C(=O)CC(Nc2ccc(C#N)cc2OC)C1=O.
What is the InChIKey of 4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile?
The InChIKey is WABYFVBBUJRBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-6-18-14(19)8-12(15(18)20)17-11-5-4-10(9-16)7-13(11)21-2/h4-5,7,12,17H,3,6,8H2,1-2H3.
What are the key properties of 4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile?
4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile has a molecular weight of 287.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile is sourced from PubChem (CID 104848482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).