2-(2,5-dioxopyrrol-1-yl)hexanamide

C10H14N2O3 — CID 18474209

IUPAC2-(2,5-dioxopyrrol-1-yl)hexanamide
SMILESCCCCC(C(N)=O)N1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O3/c1-2-3-4-7(10(11)15)12-8(13)5-6-9(12)14/h5-7H,2-4H2,1H3,(H2,11,15)
InChIKeyWSLGRXOWIUCDDF-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.04
Rot. Bonds5

About 2-(2,5-dioxopyrrol-1-yl)hexanamide

2-(2,5-dioxopyrrol-1-yl)hexanamide (PubChem CID 18474209) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)hexanamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)hexanamide
PubChem CID18474209
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(2,5-dioxopyrrol-1-yl)hexanamide
SMILESCCCCC(C(N)=O)N1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O3/c1-2-3-4-7(10(11)15)12-8(13)5-6-9(12)14/h5-7H,2-4H2,1H3,(H2,11,15)
InChIKeyWSLGRXOWIUCDDF-UHFFFAOYSA-N
XLogP-0.04
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
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 2-(2,5-dioxopyrrol-1-yl)hexanamide?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)hexanamide (CID 18474209) is 2-(2,5-dioxopyrrol-1-yl)hexanamide.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)hexanamide?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)hexanamide is CCCCC(C(N)=O)N1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)hexanamide?
The InChIKey is WSLGRXOWIUCDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-3-4-7(10(11)15)12-8(13)5-6-9(12)14/h5-7H,2-4H2,1H3,(H2,11,15).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)hexanamide?
2-(2,5-dioxopyrrol-1-yl)hexanamide has a molecular weight of 210.23 g/mol, XLogP of -0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)hexanamide is sourced from PubChem (CID 18474209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).