6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide

C₁₂H₂₀N₂O₃ — CID 91261605

About 6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide

6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide (PubChem CID 91261605) has the molecular formula C₁₂H₂₀N₂O₃ and a molecular weight of 240.30 g/mol. Its IUPAC name is 6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide.

Molecular Properties

• Compound Name: 6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide
• PubChem CID: 91261605
• Molecular Formula: C₁₂H₂₀N₂O₃
• Molecular Weight: 240.30 g/mol
• Exact Mass: 240.15
• IUPAC Name: 6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide
• SMILES: CNC(=O)CCCCCn1c(O)cc(C)c1O
• InChI: InChI=1S/C12H20N2O3/c1-9-8-11(16)14(12(9)17)7-5-3-4-6-10(15)13-2/h8,16-17H,3-7H2,1-2H3,(H,13,15)
• InChIKey: IKVHYOHJXUWDPY-UHFFFAOYSA-N
• XLogP: 1.51
• TPSA: 74.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	240.30
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide?

The IUPAC name of 6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide (CID 91261605) is 6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide.

What is the SMILES notation for 6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide?

The canonical SMILES for 6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide is CNC(=O)CCCCCn1c(O)cc(C)c1O.

What is the InChIKey of 6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide?

The InChIKey is IKVHYOHJXUWDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-9-8-11(16)14(12(9)17)7-5-3-4-6-10(15)13-2/h8,16-17H,3-7H2,1-2H3,(H,13,15).

What are the key properties of 6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide?

6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide has a molecular weight of 240.30 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide is sourced from PubChem (CID 91261605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 91261605 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.