1-(methylamino)-3-(propan-2-ylamino)pyrrolidine-2,5-dione

C8H15N3O2 — CID 59042133

IUPAC1-(methylamino)-3-(propan-2-ylamino)pyrrolidine-2,5-dione
SMILESCNN1C(=O)CC(NC(C)C)C1=O
InChIInChI=1S/C8H15N3O2/c1-5(2)10-6-4-7(12)11(9-3)8(6)13/h5-6,9-10H,4H2,1-3H3
InChIKeyIXMFGKRKOFYZKX-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.75
Rot. Bonds3

About 1-(methylamino)-3-(propan-2-ylamino)pyrrolidine-2,5-dione

1-(methylamino)-3-(propan-2-ylamino)pyrrolidine-2,5-dione (PubChem CID 59042133) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-(methylamino)-3-(propan-2-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(methylamino)-3-(propan-2-ylamino)pyrrolidine-2,5-dione
PubChem CID59042133
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name1-(methylamino)-3-(propan-2-ylamino)pyrrolidine-2,5-dione
SMILESCNN1C(=O)CC(NC(C)C)C1=O
InChIInChI=1S/C8H15N3O2/c1-5(2)10-6-4-7(12)11(9-3)8(6)13/h5-6,9-10H,4H2,1-3H3
InChIKeyIXMFGKRKOFYZKX-UHFFFAOYSA-N
XLogP-0.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
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-(methylamino)-3-(propan-2-ylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(methylamino)-3-(propan-2-ylamino)pyrrolidine-2,5-dione (CID 59042133) is 1-(methylamino)-3-(propan-2-ylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(methylamino)-3-(propan-2-ylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(methylamino)-3-(propan-2-ylamino)pyrrolidine-2,5-dione is CNN1C(=O)CC(NC(C)C)C1=O.
What is the InChIKey of 1-(methylamino)-3-(propan-2-ylamino)pyrrolidine-2,5-dione?
The InChIKey is IXMFGKRKOFYZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-5(2)10-6-4-7(12)11(9-3)8(6)13/h5-6,9-10H,4H2,1-3H3.
What are the key properties of 1-(methylamino)-3-(propan-2-ylamino)pyrrolidine-2,5-dione?
1-(methylamino)-3-(propan-2-ylamino)pyrrolidine-2,5-dione has a molecular weight of 185.23 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(propan-2-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 59042133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).