4-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide

C9H12N2O3 — CID 60864499

IUPAC4-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide
SMILESCC1=CC(=O)N(CCCC(N)=O)C1=O
InChIInChI=1S/C9H12N2O3/c1-6-5-8(13)11(9(6)14)4-2-3-7(10)12/h5H,2-4H2,1H3,(H2,10,12)
InChIKeyOUOOGTXSIRJXSA-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.43
Rot. Bonds4

About 4-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide

4-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide (PubChem CID 60864499) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide.

Molecular Properties

Compound Name4-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide
PubChem CID60864499
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name4-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide
SMILESCC1=CC(=O)N(CCCC(N)=O)C1=O
InChIInChI=1S/C9H12N2O3/c1-6-5-8(13)11(9(6)14)4-2-3-7(10)12/h5H,2-4H2,1H3,(H2,10,12)
InChIKeyOUOOGTXSIRJXSA-UHFFFAOYSA-N
XLogP-0.43
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
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 4-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide?
The IUPAC name of 4-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide (CID 60864499) is 4-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide.
What is the SMILES notation for 4-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide?
The canonical SMILES for 4-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide is CC1=CC(=O)N(CCCC(N)=O)C1=O.
What is the InChIKey of 4-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide?
The InChIKey is OUOOGTXSIRJXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6-5-8(13)11(9(6)14)4-2-3-7(10)12/h5H,2-4H2,1H3,(H2,10,12).
What are the key properties of 4-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide?
4-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide has a molecular weight of 196.21 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide is sourced from PubChem (CID 60864499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).