3-(7-oxoazepan-2-yl)pyrrolidine-2,5-dione

C10H14N2O3 — CID 67860178

IUPAC3-(7-oxoazepan-2-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(C2CCCCC(=O)N2)C(=O)N1
InChIInChI=1S/C10H14N2O3/c13-8-4-2-1-3-7(11-8)6-5-9(14)12-10(6)15/h6-7H,1-5H2,(H,11,13)(H,12,14,15)
InChIKeyZWCDZPROQLAVPB-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.29
Rot. Bonds1

About 3-(7-oxoazepan-2-yl)pyrrolidine-2,5-dione

3-(7-oxoazepan-2-yl)pyrrolidine-2,5-dione (PubChem CID 67860178) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(7-oxoazepan-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(7-oxoazepan-2-yl)pyrrolidine-2,5-dione
PubChem CID67860178
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-(7-oxoazepan-2-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(C2CCCCC(=O)N2)C(=O)N1
InChIInChI=1S/C10H14N2O3/c13-8-4-2-1-3-7(11-8)6-5-9(14)12-10(6)15/h6-7H,1-5H2,(H,11,13)(H,12,14,15)
InChIKeyZWCDZPROQLAVPB-UHFFFAOYSA-N
XLogP-0.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
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-(7-oxoazepan-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(7-oxoazepan-2-yl)pyrrolidine-2,5-dione (CID 67860178) is 3-(7-oxoazepan-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(7-oxoazepan-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(7-oxoazepan-2-yl)pyrrolidine-2,5-dione is O=C1CC(C2CCCCC(=O)N2)C(=O)N1.
What is the InChIKey of 3-(7-oxoazepan-2-yl)pyrrolidine-2,5-dione?
The InChIKey is ZWCDZPROQLAVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c13-8-4-2-1-3-7(11-8)6-5-9(14)12-10(6)15/h6-7H,1-5H2,(H,11,13)(H,12,14,15).
What are the key properties of 3-(7-oxoazepan-2-yl)pyrrolidine-2,5-dione?
3-(7-oxoazepan-2-yl)pyrrolidine-2,5-dione has a molecular weight of 210.23 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-oxoazepan-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 67860178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).