1-(2-oxoheptan-3-yl)pyrrole-2,5-dione

C11H15NO3 — CID 70661693

IUPAC1-(2-oxoheptan-3-yl)pyrrole-2,5-dione
SMILESCCCCC(C(C)=O)N1C(=O)C=CC1=O
InChIInChI=1S/C11H15NO3/c1-3-4-5-9(8(2)13)12-10(14)6-7-11(12)15/h6-7,9H,3-5H2,1-2H3
InChIKeySGKHOAFNQOOZBK-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.06
Rot. Bonds5

About 1-(2-oxoheptan-3-yl)pyrrole-2,5-dione

1-(2-oxoheptan-3-yl)pyrrole-2,5-dione (PubChem CID 70661693) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(2-oxoheptan-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-oxoheptan-3-yl)pyrrole-2,5-dione
PubChem CID70661693
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name1-(2-oxoheptan-3-yl)pyrrole-2,5-dione
SMILESCCCCC(C(C)=O)N1C(=O)C=CC1=O
InChIInChI=1S/C11H15NO3/c1-3-4-5-9(8(2)13)12-10(14)6-7-11(12)15/h6-7,9H,3-5H2,1-2H3
InChIKeySGKHOAFNQOOZBK-UHFFFAOYSA-N
XLogP1.06
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.06
H-Bond Donors ≤ 50
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-(2-oxoheptan-3-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-oxoheptan-3-yl)pyrrole-2,5-dione (CID 70661693) is 1-(2-oxoheptan-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-oxoheptan-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-oxoheptan-3-yl)pyrrole-2,5-dione is CCCCC(C(C)=O)N1C(=O)C=CC1=O.
What is the InChIKey of 1-(2-oxoheptan-3-yl)pyrrole-2,5-dione?
The InChIKey is SGKHOAFNQOOZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-4-5-9(8(2)13)12-10(14)6-7-11(12)15/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 1-(2-oxoheptan-3-yl)pyrrole-2,5-dione?
1-(2-oxoheptan-3-yl)pyrrole-2,5-dione has a molecular weight of 209.25 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxoheptan-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 70661693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).