1-(7-aminooxy-6-hydroxy-3-oxoheptyl)pyrrole-2,5-dione

C11H16N2O5 — CID 157087027

IUPAC1-(7-aminooxy-6-hydroxy-3-oxoheptyl)pyrrole-2,5-dione
SMILESNOCC(O)CCC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O5/c12-18-7-9(15)2-1-8(14)5-6-13-10(16)3-4-11(13)17/h3-4,9,15H,1-2,5-7,12H2
InChIKeyRPJPFQHDOLPXBY-UHFFFAOYSA-N
MW256.26 g/mol
LogP-1.10
Rot. Bonds8

About 1-(7-aminooxy-6-hydroxy-3-oxoheptyl)pyrrole-2,5-dione

1-(7-aminooxy-6-hydroxy-3-oxoheptyl)pyrrole-2,5-dione (PubChem CID 157087027) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 1-(7-aminooxy-6-hydroxy-3-oxoheptyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(7-aminooxy-6-hydroxy-3-oxoheptyl)pyrrole-2,5-dione
PubChem CID157087027
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name1-(7-aminooxy-6-hydroxy-3-oxoheptyl)pyrrole-2,5-dione
SMILESNOCC(O)CCC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O5/c12-18-7-9(15)2-1-8(14)5-6-13-10(16)3-4-11(13)17/h3-4,9,15H,1-2,5-7,12H2
InChIKeyRPJPFQHDOLPXBY-UHFFFAOYSA-N
XLogP-1.10
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-(7-aminooxy-6-hydroxy-3-oxoheptyl)pyrrole-2,5-dione?
The IUPAC name of 1-(7-aminooxy-6-hydroxy-3-oxoheptyl)pyrrole-2,5-dione (CID 157087027) is 1-(7-aminooxy-6-hydroxy-3-oxoheptyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(7-aminooxy-6-hydroxy-3-oxoheptyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(7-aminooxy-6-hydroxy-3-oxoheptyl)pyrrole-2,5-dione is NOCC(O)CCC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(7-aminooxy-6-hydroxy-3-oxoheptyl)pyrrole-2,5-dione?
The InChIKey is RPJPFQHDOLPXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c12-18-7-9(15)2-1-8(14)5-6-13-10(16)3-4-11(13)17/h3-4,9,15H,1-2,5-7,12H2.
What are the key properties of 1-(7-aminooxy-6-hydroxy-3-oxoheptyl)pyrrole-2,5-dione?
1-(7-aminooxy-6-hydroxy-3-oxoheptyl)pyrrole-2,5-dione has a molecular weight of 256.26 g/mol, XLogP of -1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-aminooxy-6-hydroxy-3-oxoheptyl)pyrrole-2,5-dione is sourced from PubChem (CID 157087027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).