6-(2,5-dioxopyrrol-1-yl)hexanal;N-formyl-N-methoxybutanamide

C16H24N2O6 — CID 169179382

IUPAC6-(2,5-dioxopyrrol-1-yl)hexanal;N-formyl-N-methoxybutanamide
SMILESCCCC(=O)N(C=O)OC.O=CCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO3.C6H11NO3/c12-8-4-2-1-3-7-11-9(13)5-6-10(11)14;1-3-4-6(9)7(5-8)10-2/h5-6,8H,1-4,7H2;5H,3-4H2,1-2H3
InChIKeyZHSSNKNLJHLREQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.00
Rot. Bonds10

About 6-(2,5-dioxopyrrol-1-yl)hexanal;N-formyl-N-methoxybutanamide

6-(2,5-dioxopyrrol-1-yl)hexanal;N-formyl-N-methoxybutanamide (PubChem CID 169179382) has the molecular formula C16H24N2O6 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)hexanal;N-formyl-N-methoxybutanamide.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)hexanal;N-formyl-N-methoxybutanamide
PubChem CID169179382
Molecular FormulaC16H24N2O6
Molecular Weight340.38 g/mol
Exact Mass340.16
IUPAC Name6-(2,5-dioxopyrrol-1-yl)hexanal;N-formyl-N-methoxybutanamide
SMILESCCCC(=O)N(C=O)OC.O=CCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO3.C6H11NO3/c12-8-4-2-1-3-7-11-9(13)5-6-10(11)14;1-3-4-6(9)7(5-8)10-2/h5-6,8H,1-4,7H2;5H,3-4H2,1-2H3
InChIKeyZHSSNKNLJHLREQ-UHFFFAOYSA-N
XLogP1.00
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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)hexanal;N-formyl-N-methoxybutanamide?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)hexanal;N-formyl-N-methoxybutanamide (CID 169179382) is 6-(2,5-dioxopyrrol-1-yl)hexanal;N-formyl-N-methoxybutanamide.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)hexanal;N-formyl-N-methoxybutanamide?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)hexanal;N-formyl-N-methoxybutanamide is CCCC(=O)N(C=O)OC.O=CCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)hexanal;N-formyl-N-methoxybutanamide?
The InChIKey is ZHSSNKNLJHLREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3.C6H11NO3/c12-8-4-2-1-3-7-11-9(13)5-6-10(11)14;1-3-4-6(9)7(5-8)10-2/h5-6,8H,1-4,7H2;5H,3-4H2,1-2H3.
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)hexanal;N-formyl-N-methoxybutanamide?
6-(2,5-dioxopyrrol-1-yl)hexanal;N-formyl-N-methoxybutanamide has a molecular weight of 340.38 g/mol, XLogP of 1.00, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)hexanal;N-formyl-N-methoxybutanamide is sourced from PubChem (CID 169179382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).