3-(3-cyclopropyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methylbut-3-enyl)propanamide

C15H22N2O3 — CID 172576806

IUPAC3-(3-cyclopropyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methylbut-3-enyl)propanamide
SMILESC=C(C)CCNC(=O)CCN1C(=O)CC(C2CC2)C1=O
InChIInChI=1S/C15H22N2O3/c1-10(2)5-7-16-13(18)6-8-17-14(19)9-12(15(17)20)11-3-4-11/h11-12H,1,3-9H2,2H3,(H,16,18)
InChIKeySVCCFURZONTECS-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.24
Rot. Bonds7

About 3-(3-cyclopropyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methylbut-3-enyl)propanamide

3-(3-cyclopropyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methylbut-3-enyl)propanamide (PubChem CID 172576806) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(3-cyclopropyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methylbut-3-enyl)propanamide.

Molecular Properties

Compound Name3-(3-cyclopropyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methylbut-3-enyl)propanamide
PubChem CID172576806
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-(3-cyclopropyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methylbut-3-enyl)propanamide
SMILESC=C(C)CCNC(=O)CCN1C(=O)CC(C2CC2)C1=O
InChIInChI=1S/C15H22N2O3/c1-10(2)5-7-16-13(18)6-8-17-14(19)9-12(15(17)20)11-3-4-11/h11-12H,1,3-9H2,2H3,(H,16,18)
InChIKeySVCCFURZONTECS-UHFFFAOYSA-N
XLogP1.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-cycloheptyl-2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyethyl)propanamide
CID 134387206
3-[2,5-dioxo-3-(thiocan-5-yl)pyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 166072974
N-(2-hydroxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 90191256
3-(2,5-dioxo-3-prop-1-en-2-ylpyrrolidin-1-yl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 156842258
N-(5-acetamidopentyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 58519834
3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide
CID 88983253
N-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 163865588
3-acetyl-N,N'-bis[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]pentanediamide
CID 59446018
N-(2-methoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 59257637
N-(3-cyclohexyl-3-oxopropyl)-3-[4-[3-[2-[2-[3-(3-cyclopentyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]phenyl]propanamide
CID 126699016
N-(2-ethylsulfonylethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 118362321
6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(3-oxobutyl)hexanamide
CID 122596559

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methylbut-3-enyl)propanamide?
The IUPAC name of 3-(3-cyclopropyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methylbut-3-enyl)propanamide (CID 172576806) is 3-(3-cyclopropyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methylbut-3-enyl)propanamide.
What is the SMILES notation for 3-(3-cyclopropyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methylbut-3-enyl)propanamide?
The canonical SMILES for 3-(3-cyclopropyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methylbut-3-enyl)propanamide is C=C(C)CCNC(=O)CCN1C(=O)CC(C2CC2)C1=O.
What is the InChIKey of 3-(3-cyclopropyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methylbut-3-enyl)propanamide?
The InChIKey is SVCCFURZONTECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)5-7-16-13(18)6-8-17-14(19)9-12(15(17)20)11-3-4-11/h11-12H,1,3-9H2,2H3,(H,16,18).
What are the key properties of 3-(3-cyclopropyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methylbut-3-enyl)propanamide?
3-(3-cyclopropyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methylbut-3-enyl)propanamide has a molecular weight of 278.35 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methylbut-3-enyl)propanamide is sourced from PubChem (CID 172576806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).