1-(pentylamino)oxypyrrolidine-2,5-dione

C9H16N2O3 — CID 121327538

IUPAC1-(pentylamino)oxypyrrolidine-2,5-dione
SMILESCCCCCNON1C(=O)CCC1=O
InChIInChI=1S/C9H16N2O3/c1-2-3-4-7-10-14-11-8(12)5-6-9(11)13/h10H,2-7H2,1H3
InChIKeyQCBWPVTZQJQUPH-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.76
Rot. Bonds6

About 1-(pentylamino)oxypyrrolidine-2,5-dione

1-(pentylamino)oxypyrrolidine-2,5-dione (PubChem CID 121327538) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(pentylamino)oxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(pentylamino)oxypyrrolidine-2,5-dione
PubChem CID121327538
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-(pentylamino)oxypyrrolidine-2,5-dione
SMILESCCCCCNON1C(=O)CCC1=O
InChIInChI=1S/C9H16N2O3/c1-2-3-4-7-10-14-11-8(12)5-6-9(11)13/h10H,2-7H2,1H3
InChIKeyQCBWPVTZQJQUPH-UHFFFAOYSA-N
XLogP0.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(pentylamino)oxypyrrolidine-2,5-dione?
The IUPAC name of 1-(pentylamino)oxypyrrolidine-2,5-dione (CID 121327538) is 1-(pentylamino)oxypyrrolidine-2,5-dione.
What is the SMILES notation for 1-(pentylamino)oxypyrrolidine-2,5-dione?
The canonical SMILES for 1-(pentylamino)oxypyrrolidine-2,5-dione is CCCCCNON1C(=O)CCC1=O.
What is the InChIKey of 1-(pentylamino)oxypyrrolidine-2,5-dione?
The InChIKey is QCBWPVTZQJQUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-3-4-7-10-14-11-8(12)5-6-9(11)13/h10H,2-7H2,1H3.
What are the key properties of 1-(pentylamino)oxypyrrolidine-2,5-dione?
1-(pentylamino)oxypyrrolidine-2,5-dione has a molecular weight of 200.24 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pentylamino)oxypyrrolidine-2,5-dione is sourced from PubChem (CID 121327538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).