1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrrolidine-2,5-dione

C13H20N2O3 — CID 114118975

IUPAC1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrrolidine-2,5-dione
SMILESCOC1(CNC2CC(=O)N(C3CC3)C2=O)CCC1
InChIInChI=1S/C13H20N2O3/c1-18-13(5-2-6-13)8-14-10-7-11(16)15(12(10)17)9-3-4-9/h9-10,14H,2-8H2,1H3
InChIKeyNPHXWQFTJNHUDM-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.44
Rot. Bonds5

About 1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrrolidine-2,5-dione

1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrrolidine-2,5-dione (PubChem CID 114118975) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrrolidine-2,5-dione
PubChem CID114118975
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrrolidine-2,5-dione
SMILESCOC1(CNC2CC(=O)N(C3CC3)C2=O)CCC1
InChIInChI=1S/C13H20N2O3/c1-18-13(5-2-6-13)8-14-10-7-11(16)15(12(10)17)9-3-4-9/h9-10,14H,2-8H2,1H3
InChIKeyNPHXWQFTJNHUDM-UHFFFAOYSA-N
XLogP0.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(1-methoxycyclobutyl)methylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrrolidine-2,5-dione (CID 114118975) is 1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrrolidine-2,5-dione is COC1(CNC2CC(=O)N(C3CC3)C2=O)CCC1.
What is the InChIKey of 1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrrolidine-2,5-dione?
The InChIKey is NPHXWQFTJNHUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-18-13(5-2-6-13)8-14-10-7-11(16)15(12(10)17)9-3-4-9/h9-10,14H,2-8H2,1H3.
What are the key properties of 1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrrolidine-2,5-dione?
1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrrolidine-2,5-dione has a molecular weight of 252.31 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 114118975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).