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

C11H16N2O3 — CID 68727226

IUPAC6-(2,5-dioxopyrrol-1-yl)-2-methylhexanamide
SMILESCC(CCCCN1C(=O)C=CC1=O)C(N)=O
InChIInChI=1S/C11H16N2O3/c1-8(11(12)16)4-2-3-7-13-9(14)5-6-10(13)15/h5-6,8H,2-4,7H2,1H3,(H2,12,16)
InChIKeyIPJBCZGIAQCSSA-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.20
Rot. Bonds6

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

6-(2,5-dioxopyrrol-1-yl)-2-methylhexanamide (PubChem CID 68727226) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)-2-methylhexanamide.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)-2-methylhexanamide
PubChem CID68727226
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name6-(2,5-dioxopyrrol-1-yl)-2-methylhexanamide
SMILESCC(CCCCN1C(=O)C=CC1=O)C(N)=O
InChIInChI=1S/C11H16N2O3/c1-8(11(12)16)4-2-3-7-13-9(14)5-6-10(13)15/h5-6,8H,2-4,7H2,1H3,(H2,12,16)
InChIKeyIPJBCZGIAQCSSA-UHFFFAOYSA-N
XLogP0.20
TPSA80.47 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 ≤ 50.20
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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Related Compounds

5-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid
CID 104683053
(2R)-2-amino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid
CID 10513406
1-(9,10-dimethyloctadecyl)pyrrole-2,5-dione
CID 129182834
10-(2,5-dioxopyrrol-1-yl)decanamide
CID 134211555
1-(9-methyl-8-oxododecyl)pyrrole-2,5-dione
CID 122493730
(2S)-6-(2,5-dioxopyrrol-1-yl)-2-[[2-(methylamino)acetyl]amino]hexanoic acid;hydrochloride
CID 72713182
5-(2,5-dioxopyrrol-1-yl)-2-[3-(2,5-dioxopyrrol-1-yl)propyl]pentanoic acid
CID 22078143
1-(4-methyldodecyl)pyrrole-2,5-dione
CID 70003100
N-acetyl-N-[7-(2,5-dioxopyrrol-1-yl)heptan-2-yl]prop-2-ynamide
CID 154964280
(2S)-N-[(4S)-9-amino-2-methyl-3,9-dioxononan-4-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide
CID 162139433
1-[(6R)-7-methyl-6-(trifluoromethyl)octyl]pyrrole-2,5-dione;1-[7-methyl-6-(trifluoromethyl)octyl]pyrrole-2,5-dione;1-[(6R)-7,7,7-trifluoro-6-methylheptyl]pyrrole-2,5-dione
CID 160746274
6-[3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanoylamino]-2-methylhexanamide
CID 23526545

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-2-methylhexanamide?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-2-methylhexanamide (CID 68727226) is 6-(2,5-dioxopyrrol-1-yl)-2-methylhexanamide.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)-2-methylhexanamide?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)-2-methylhexanamide is CC(CCCCN1C(=O)C=CC1=O)C(N)=O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)-2-methylhexanamide?
The InChIKey is IPJBCZGIAQCSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8(11(12)16)4-2-3-7-13-9(14)5-6-10(13)15/h5-6,8H,2-4,7H2,1H3,(H2,12,16).
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)-2-methylhexanamide?
6-(2,5-dioxopyrrol-1-yl)-2-methylhexanamide has a molecular weight of 224.26 g/mol, XLogP of 0.20, 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)-2-methylhexanamide is sourced from PubChem (CID 68727226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).