1-propan-2-yl-3-(propylamino)pyrrolidine-2,5-dione

C10H18N2O2 — CID 43636065

IUPAC1-propan-2-yl-3-(propylamino)pyrrolidine-2,5-dione
SMILESCCCNC1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C10H18N2O2/c1-4-5-11-8-6-9(13)12(7(2)3)10(8)14/h7-8,11H,4-6H2,1-3H3
InChIKeyGFKQJIZVNYZKGS-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.52
Rot. Bonds4

About 1-propan-2-yl-3-(propylamino)pyrrolidine-2,5-dione

1-propan-2-yl-3-(propylamino)pyrrolidine-2,5-dione (PubChem CID 43636065) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-propan-2-yl-3-(propylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-propan-2-yl-3-(propylamino)pyrrolidine-2,5-dione
PubChem CID43636065
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-propan-2-yl-3-(propylamino)pyrrolidine-2,5-dione
SMILESCCCNC1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C10H18N2O2/c1-4-5-11-8-6-9(13)12(7(2)3)10(8)14/h7-8,11H,4-6H2,1-3H3
InChIKeyGFKQJIZVNYZKGS-UHFFFAOYSA-N
XLogP0.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.52
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-propan-2-yl-3-(propylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-propan-2-yl-3-(propylamino)pyrrolidine-2,5-dione (CID 43636065) is 1-propan-2-yl-3-(propylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-propan-2-yl-3-(propylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-propan-2-yl-3-(propylamino)pyrrolidine-2,5-dione is CCCNC1CC(=O)N(C(C)C)C1=O.
What is the InChIKey of 1-propan-2-yl-3-(propylamino)pyrrolidine-2,5-dione?
The InChIKey is GFKQJIZVNYZKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-5-11-8-6-9(13)12(7(2)3)10(8)14/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 1-propan-2-yl-3-(propylamino)pyrrolidine-2,5-dione?
1-propan-2-yl-3-(propylamino)pyrrolidine-2,5-dione has a molecular weight of 198.27 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(propylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43636065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).