6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide

C11H16N2O3 — CID 59089555

IUPAC6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide
SMILESCNC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O3/c1-12-9(14)5-3-2-4-8-13-10(15)6-7-11(13)16/h6-7H,2-5,8H2,1H3,(H,12,14)
InChIKeyTZCUBIGBOWKYAG-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.22
Rot. Bonds6

About 6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide

6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide (PubChem CID 59089555) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide
PubChem CID59089555
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide
SMILESCNC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O3/c1-12-9(14)5-3-2-4-8-13-10(15)6-7-11(13)16/h6-7H,2-5,8H2,1H3,(H,12,14)
InChIKeyTZCUBIGBOWKYAG-UHFFFAOYSA-N
XLogP0.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.22
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)-N-methylhexanamide?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide (CID 59089555) is 6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide is CNC(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide?
The InChIKey is TZCUBIGBOWKYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-12-9(14)5-3-2-4-8-13-10(15)6-7-11(13)16/h6-7H,2-5,8H2,1H3,(H,12,14).
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide?
6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide has a molecular weight of 224.26 g/mol, XLogP of 0.22, 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)-N-methylhexanamide is sourced from PubChem (CID 59089555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).