6-(2,5-dioxopyrrol-1-yl)hexanamide;ethane

C12H20N2O3 — CID 144749520

IUPAC6-(2,5-dioxopyrrol-1-yl)hexanamide;ethane
SMILESCC.NC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O3.C2H6/c11-8(13)4-2-1-3-7-12-9(14)5-6-10(12)15;1-2/h5-6H,1-4,7H2,(H2,11,13);1-2H3
InChIKeyGQLPVBCLXNUKCO-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.98
Rot. Bonds6

About 6-(2,5-dioxopyrrol-1-yl)hexanamide;ethane

6-(2,5-dioxopyrrol-1-yl)hexanamide;ethane (PubChem CID 144749520) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)hexanamide;ethane.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)hexanamide;ethane
PubChem CID144749520
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name6-(2,5-dioxopyrrol-1-yl)hexanamide;ethane
SMILESCC.NC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O3.C2H6/c11-8(13)4-2-1-3-7-12-9(14)5-6-10(12)15;1-2/h5-6H,1-4,7H2,(H2,11,13);1-2H3
InChIKeyGQLPVBCLXNUKCO-UHFFFAOYSA-N
XLogP0.98
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)hexanamide;ethane?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)hexanamide;ethane (CID 144749520) is 6-(2,5-dioxopyrrol-1-yl)hexanamide;ethane.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)hexanamide;ethane?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)hexanamide;ethane is CC.NC(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)hexanamide;ethane?
The InChIKey is GQLPVBCLXNUKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3.C2H6/c11-8(13)4-2-1-3-7-12-9(14)5-6-10(12)15;1-2/h5-6H,1-4,7H2,(H2,11,13);1-2H3.
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)hexanamide;ethane?
6-(2,5-dioxopyrrol-1-yl)hexanamide;ethane has a molecular weight of 240.30 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)hexanamide;ethane is sourced from PubChem (CID 144749520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).