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

C9H12N2O3 — CID 129054457

IUPACN-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NN1C(=O)C=CC1=O
InChIInChI=1S/C9H12N2O3/c1-9(2,3)8(14)10-11-6(12)4-5-7(11)13/h4-5H,1-3H3,(H,10,14)
InChIKeyBMEOTDHJMFLUHH-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.01
Rot. Bonds1

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

N-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpropanamide (PubChem CID 129054457) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpropanamide
PubChem CID129054457
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC NameN-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NN1C(=O)C=CC1=O
InChIInChI=1S/C9H12N2O3/c1-9(2,3)8(14)10-11-6(12)4-5-7(11)13/h4-5H,1-3H3,(H,10,14)
InChIKeyBMEOTDHJMFLUHH-UHFFFAOYSA-N
XLogP-0.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.01
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 N-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpropanamide (CID 129054457) is N-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NN1C(=O)C=CC1=O.
What is the InChIKey of N-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpropanamide?
The InChIKey is BMEOTDHJMFLUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-9(2,3)8(14)10-11-6(12)4-5-7(11)13/h4-5H,1-3H3,(H,10,14).
What are the key properties of N-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpropanamide?
N-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpropanamide has a molecular weight of 196.21 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 129054457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).