3-(dicyclopropylmethylamino)-1-propylpyrrolidine-2,5-dione

C14H22N2O2 — CID 54959119

IUPAC3-(dicyclopropylmethylamino)-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NC(C2CC2)C2CC2)C1=O
InChIInChI=1S/C14H22N2O2/c1-2-7-16-12(17)8-11(14(16)18)15-13(9-3-4-9)10-5-6-10/h9-11,13,15H,2-8H2,1H3
InChIKeyNLOMIJCFKOABDB-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.30
Rot. Bonds6

About 3-(dicyclopropylmethylamino)-1-propylpyrrolidine-2,5-dione

3-(dicyclopropylmethylamino)-1-propylpyrrolidine-2,5-dione (PubChem CID 54959119) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(dicyclopropylmethylamino)-1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(dicyclopropylmethylamino)-1-propylpyrrolidine-2,5-dione
PubChem CID54959119
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(dicyclopropylmethylamino)-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NC(C2CC2)C2CC2)C1=O
InChIInChI=1S/C14H22N2O2/c1-2-7-16-12(17)8-11(14(16)18)15-13(9-3-4-9)10-5-6-10/h9-11,13,15H,2-8H2,1H3
InChIKeyNLOMIJCFKOABDB-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.30
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 3-(dicyclopropylmethylamino)-1-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-(dicyclopropylmethylamino)-1-propylpyrrolidine-2,5-dione (CID 54959119) is 3-(dicyclopropylmethylamino)-1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(dicyclopropylmethylamino)-1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(dicyclopropylmethylamino)-1-propylpyrrolidine-2,5-dione is CCCN1C(=O)CC(NC(C2CC2)C2CC2)C1=O.
What is the InChIKey of 3-(dicyclopropylmethylamino)-1-propylpyrrolidine-2,5-dione?
The InChIKey is NLOMIJCFKOABDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-7-16-12(17)8-11(14(16)18)15-13(9-3-4-9)10-5-6-10/h9-11,13,15H,2-8H2,1H3.
What are the key properties of 3-(dicyclopropylmethylamino)-1-propylpyrrolidine-2,5-dione?
3-(dicyclopropylmethylamino)-1-propylpyrrolidine-2,5-dione has a molecular weight of 250.34 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dicyclopropylmethylamino)-1-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 54959119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).