2-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide

C9H12N2O3 — CID 60976862

IUPAC2-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)N1C(=O)C=CC1=O
InChIInChI=1S/C9H12N2O3/c1-6(9(14)10(2)3)11-7(12)4-5-8(11)13/h4-6H,1-3H3
InChIKeyLDYJYDDNPFJAPV-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.61
Rot. Bonds2

About 2-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide

2-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide (PubChem CID 60976862) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide
PubChem CID60976862
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)N1C(=O)C=CC1=O
InChIInChI=1S/C9H12N2O3/c1-6(9(14)10(2)3)11-7(12)4-5-8(11)13/h4-6H,1-3H3
InChIKeyLDYJYDDNPFJAPV-UHFFFAOYSA-N
XLogP-0.61
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.61
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-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide (CID 60976862) is 2-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide is CC(C(=O)N(C)C)N1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide?
The InChIKey is LDYJYDDNPFJAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6(9(14)10(2)3)11-7(12)4-5-8(11)13/h4-6H,1-3H3.
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide?
2-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide has a molecular weight of 196.21 g/mol, XLogP of -0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 60976862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).