1-(dimethylamino)pyrrole-2,5-dione;4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid

C12H20N4O5 — CID 160606472

IUPAC1-(dimethylamino)pyrrole-2,5-dione;4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid
SMILESCN(C)N1C(=O)C=CC1=O.CN(C)NC(=O)CCC(=O)O
InChIInChI=1S/C6H12N2O3.C6H8N2O2/c1-8(2)7-5(9)3-4-6(10)11;1-7(2)8-5(9)3-4-6(8)10/h3-4H2,1-2H3,(H,7,9)(H,10,11);3-4H,1-2H3
InChIKeyREXYXODFLNRKRY-UHFFFAOYSA-N
MW300.32 g/mol
LogP-1.17
Rot. Bonds5

About 1-(dimethylamino)pyrrole-2,5-dione;4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid

1-(dimethylamino)pyrrole-2,5-dione;4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid (PubChem CID 160606472) has the molecular formula C12H20N4O5 and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-(dimethylamino)pyrrole-2,5-dione;4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid.

Molecular Properties

Compound Name1-(dimethylamino)pyrrole-2,5-dione;4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid
PubChem CID160606472
Molecular FormulaC12H20N4O5
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name1-(dimethylamino)pyrrole-2,5-dione;4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid
SMILESCN(C)N1C(=O)C=CC1=O.CN(C)NC(=O)CCC(=O)O
InChIInChI=1S/C6H12N2O3.C6H8N2O2/c1-8(2)7-5(9)3-4-6(10)11;1-7(2)8-5(9)3-4-6(8)10/h3-4H2,1-2H3,(H,7,9)(H,10,11);3-4H,1-2H3
InChIKeyREXYXODFLNRKRY-UHFFFAOYSA-N
XLogP-1.17
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[(2,5-Dioxopyrrol-1-yl)amino]butanoic acid
CID 140670709
4-[Bis[2-(2,5-dioxopyrrol-1-yl)ethylamino]amino]-4-oxobutanoic acid
CID 162720758

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)pyrrole-2,5-dione;4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid?
The IUPAC name of 1-(dimethylamino)pyrrole-2,5-dione;4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid (CID 160606472) is 1-(dimethylamino)pyrrole-2,5-dione;4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid.
What is the SMILES notation for 1-(dimethylamino)pyrrole-2,5-dione;4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid?
The canonical SMILES for 1-(dimethylamino)pyrrole-2,5-dione;4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid is CN(C)N1C(=O)C=CC1=O.CN(C)NC(=O)CCC(=O)O.
What is the InChIKey of 1-(dimethylamino)pyrrole-2,5-dione;4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid?
The InChIKey is REXYXODFLNRKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3.C6H8N2O2/c1-8(2)7-5(9)3-4-6(10)11;1-7(2)8-5(9)3-4-6(8)10/h3-4H2,1-2H3,(H,7,9)(H,10,11);3-4H,1-2H3.
What are the key properties of 1-(dimethylamino)pyrrole-2,5-dione;4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid?
1-(dimethylamino)pyrrole-2,5-dione;4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid has a molecular weight of 300.32 g/mol, XLogP of -1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)pyrrole-2,5-dione;4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid is sourced from PubChem (CID 160606472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).