3-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpyrrolidine-2,5-dione

C9H13N3O2 — CID 79504566

IUPAC3-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NC2=NCCC2)C1=O
InChIInChI=1S/C9H13N3O2/c1-12-8(13)5-6(9(12)14)11-7-3-2-4-10-7/h6H,2-5H2,1H3,(H,10,11)
InChIKeyKSUSLPHIKCPVDQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.47
Rot. Bonds1

About 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpyrrolidine-2,5-dione

3-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpyrrolidine-2,5-dione (PubChem CID 79504566) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpyrrolidine-2,5-dione
PubChem CID79504566
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NC2=NCCC2)C1=O
InChIInChI=1S/C9H13N3O2/c1-12-8(13)5-6(9(12)14)11-7-3-2-4-10-7/h6H,2-5H2,1H3,(H,10,11)
InChIKeyKSUSLPHIKCPVDQ-UHFFFAOYSA-N
XLogP-0.47
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpyrrolidine-2,5-dione (CID 79504566) is 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(NC2=NCCC2)C1=O.
What is the InChIKey of 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpyrrolidine-2,5-dione?
The InChIKey is KSUSLPHIKCPVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12-8(13)5-6(9(12)14)11-7-3-2-4-10-7/h6H,2-5H2,1H3,(H,10,11).
What are the key properties of 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpyrrolidine-2,5-dione?
3-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpyrrolidine-2,5-dione has a molecular weight of 195.22 g/mol, XLogP of -0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 79504566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).