3-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide

C9H12N2O3 — CID 60977311

IUPAC3-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C9H12N2O3/c1-10(2)7(12)5-6-11-8(13)3-4-9(11)14/h3-4H,5-6H2,1-2H3
InChIKeyFCIFBTPKICGISK-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.61
Rot. Bonds3

About 3-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide

3-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide (PubChem CID 60977311) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide
PubChem CID60977311
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C9H12N2O3/c1-10(2)7(12)5-6-11-8(13)3-4-9(11)14/h3-4H,5-6H2,1-2H3
InChIKeyFCIFBTPKICGISK-UHFFFAOYSA-N
XLogP-0.61
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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 3-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide (CID 60977311) is 3-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide is CN(C)C(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide?
The InChIKey is FCIFBTPKICGISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-10(2)7(12)5-6-11-8(13)3-4-9(11)14/h3-4H,5-6H2,1-2H3.
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide?
3-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide has a molecular weight of 196.21 g/mol, XLogP of -0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 60977311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).