1-cyclopropyl-3-(3-methylbutan-2-ylamino)pyrrolidine-2,5-dione

C12H20N2O2 — CID 43636669

IUPAC1-cyclopropyl-3-(3-methylbutan-2-ylamino)pyrrolidine-2,5-dione
SMILESCC(C)C(C)NC1CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C12H20N2O2/c1-7(2)8(3)13-10-6-11(15)14(12(10)16)9-4-5-9/h7-10,13H,4-6H2,1-3H3
InChIKeyOLUHHSCYVCEGBD-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.91
Rot. Bonds4

About 1-cyclopropyl-3-(3-methylbutan-2-ylamino)pyrrolidine-2,5-dione

1-cyclopropyl-3-(3-methylbutan-2-ylamino)pyrrolidine-2,5-dione (PubChem CID 43636669) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3-methylbutan-2-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-(3-methylbutan-2-ylamino)pyrrolidine-2,5-dione
PubChem CID43636669
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-cyclopropyl-3-(3-methylbutan-2-ylamino)pyrrolidine-2,5-dione
SMILESCC(C)C(C)NC1CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C12H20N2O2/c1-7(2)8(3)13-10-6-11(15)14(12(10)16)9-4-5-9/h7-10,13H,4-6H2,1-3H3
InChIKeyOLUHHSCYVCEGBD-UHFFFAOYSA-N
XLogP0.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.91
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 1-cyclopropyl-3-(3-methylbutan-2-ylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopropyl-3-(3-methylbutan-2-ylamino)pyrrolidine-2,5-dione (CID 43636669) is 1-cyclopropyl-3-(3-methylbutan-2-ylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopropyl-3-(3-methylbutan-2-ylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopropyl-3-(3-methylbutan-2-ylamino)pyrrolidine-2,5-dione is CC(C)C(C)NC1CC(=O)N(C2CC2)C1=O.
What is the InChIKey of 1-cyclopropyl-3-(3-methylbutan-2-ylamino)pyrrolidine-2,5-dione?
The InChIKey is OLUHHSCYVCEGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-7(2)8(3)13-10-6-11(15)14(12(10)16)9-4-5-9/h7-10,13H,4-6H2,1-3H3.
What are the key properties of 1-cyclopropyl-3-(3-methylbutan-2-ylamino)pyrrolidine-2,5-dione?
1-cyclopropyl-3-(3-methylbutan-2-ylamino)pyrrolidine-2,5-dione has a molecular weight of 224.30 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3-methylbutan-2-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43636669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).