6-(2,5-dioxopyrrol-1-yl)hexanal;methanol

C11H17NO4 — CID 142602296

IUPAC6-(2,5-dioxopyrrol-1-yl)hexanal;methanol
SMILESCO.O=CCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO3.CH4O/c12-8-4-2-1-3-7-11-9(13)5-6-10(11)14;1-2/h5-6,8H,1-4,7H2;2H,1H3
InChIKeyHCDDWWFYIHOMKY-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.28
Rot. Bonds6

About 6-(2,5-dioxopyrrol-1-yl)hexanal;methanol

6-(2,5-dioxopyrrol-1-yl)hexanal;methanol (PubChem CID 142602296) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)hexanal;methanol.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)hexanal;methanol
PubChem CID142602296
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name6-(2,5-dioxopyrrol-1-yl)hexanal;methanol
SMILESCO.O=CCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO3.CH4O/c12-8-4-2-1-3-7-11-9(13)5-6-10(11)14;1-2/h5-6,8H,1-4,7H2;2H,1H3
InChIKeyHCDDWWFYIHOMKY-UHFFFAOYSA-N
XLogP0.28
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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)hexanal;methanol?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)hexanal;methanol (CID 142602296) is 6-(2,5-dioxopyrrol-1-yl)hexanal;methanol.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)hexanal;methanol?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)hexanal;methanol is CO.O=CCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)hexanal;methanol?
The InChIKey is HCDDWWFYIHOMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3.CH4O/c12-8-4-2-1-3-7-11-9(13)5-6-10(11)14;1-2/h5-6,8H,1-4,7H2;2H,1H3.
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)hexanal;methanol?
6-(2,5-dioxopyrrol-1-yl)hexanal;methanol has a molecular weight of 227.26 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)hexanal;methanol is sourced from PubChem (CID 142602296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).