1-butan-2-yl-3-(3-pyrrolidin-1-ylpropylamino)pyrrolidine-2,5-dione

C15H27N3O2 — CID 62991310

IUPAC1-butan-2-yl-3-(3-pyrrolidin-1-ylpropylamino)pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(NCCCN2CCCC2)C1=O
InChIInChI=1S/C15H27N3O2/c1-3-12(2)18-14(19)11-13(15(18)20)16-7-6-10-17-8-4-5-9-17/h12-13,16H,3-11H2,1-2H3
InChIKeySUAVRGPECUEHOU-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.99
Rot. Bonds7

About 1-butan-2-yl-3-(3-pyrrolidin-1-ylpropylamino)pyrrolidine-2,5-dione

1-butan-2-yl-3-(3-pyrrolidin-1-ylpropylamino)pyrrolidine-2,5-dione (PubChem CID 62991310) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-butan-2-yl-3-(3-pyrrolidin-1-ylpropylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-butan-2-yl-3-(3-pyrrolidin-1-ylpropylamino)pyrrolidine-2,5-dione
PubChem CID62991310
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-butan-2-yl-3-(3-pyrrolidin-1-ylpropylamino)pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(NCCCN2CCCC2)C1=O
InChIInChI=1S/C15H27N3O2/c1-3-12(2)18-14(19)11-13(15(18)20)16-7-6-10-17-8-4-5-9-17/h12-13,16H,3-11H2,1-2H3
InChIKeySUAVRGPECUEHOU-UHFFFAOYSA-N
XLogP0.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(3-pyrrolidin-1-ylpropylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-butan-2-yl-3-(3-pyrrolidin-1-ylpropylamino)pyrrolidine-2,5-dione (CID 62991310) is 1-butan-2-yl-3-(3-pyrrolidin-1-ylpropylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-butan-2-yl-3-(3-pyrrolidin-1-ylpropylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-butan-2-yl-3-(3-pyrrolidin-1-ylpropylamino)pyrrolidine-2,5-dione is CCC(C)N1C(=O)CC(NCCCN2CCCC2)C1=O.
What is the InChIKey of 1-butan-2-yl-3-(3-pyrrolidin-1-ylpropylamino)pyrrolidine-2,5-dione?
The InChIKey is SUAVRGPECUEHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-3-12(2)18-14(19)11-13(15(18)20)16-7-6-10-17-8-4-5-9-17/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 1-butan-2-yl-3-(3-pyrrolidin-1-ylpropylamino)pyrrolidine-2,5-dione?
1-butan-2-yl-3-(3-pyrrolidin-1-ylpropylamino)pyrrolidine-2,5-dione has a molecular weight of 281.40 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(3-pyrrolidin-1-ylpropylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 62991310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).