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

C11H18N2O3 — CID 142493329

IUPAC6-(2,5-dioxopyrrol-1-yl)hexanamide;methane
SMILESC.NC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O3.CH4/c11-8(13)4-2-1-3-7-12-9(14)5-6-10(12)15;/h5-6H,1-4,7H2,(H2,11,13);1H4
InChIKeyJITLGSHWYQJNBC-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.59
Rot. Bonds6

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

6-(2,5-dioxopyrrol-1-yl)hexanamide;methane (PubChem CID 142493329) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)hexanamide;methane.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)hexanamide;methane
PubChem CID142493329
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name6-(2,5-dioxopyrrol-1-yl)hexanamide;methane
SMILESC.NC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O3.CH4/c11-8(13)4-2-1-3-7-12-9(14)5-6-10(12)15;/h5-6H,1-4,7H2,(H2,11,13);1H4
InChIKeyJITLGSHWYQJNBC-UHFFFAOYSA-N
XLogP0.59
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.59
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;methane?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)hexanamide;methane (CID 142493329) is 6-(2,5-dioxopyrrol-1-yl)hexanamide;methane.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)hexanamide;methane?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)hexanamide;methane is C.NC(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)hexanamide;methane?
The InChIKey is JITLGSHWYQJNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3.CH4/c11-8(13)4-2-1-3-7-12-9(14)5-6-10(12)15;/h5-6H,1-4,7H2,(H2,11,13);1H4.
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)hexanamide;methane?
6-(2,5-dioxopyrrol-1-yl)hexanamide;methane has a molecular weight of 226.28 g/mol, XLogP of 0.59, 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;methane is sourced from PubChem (CID 142493329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).