1-(5-oxohexyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione

C19H24N2O6 — CID 143182881

IUPAC1-(5-oxohexyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione
SMILESCC(=O)CCCCN1C(=O)C=CC1=O.CC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO3.C9H11NO3/c1-8(12)4-2-3-7-11-9(13)5-6-10(11)14;1-7(11)3-2-6-10-8(12)4-5-9(10)13/h5-6H,2-4,7H2,1H3;4-5H,2-3,6H2,1H3
InChIKeyBHHBQVIUARFLEQ-UHFFFAOYSA-N
MW376.41 g/mol
LogP0.95
Rot. Bonds9

About 1-(5-oxohexyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione

1-(5-oxohexyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione (PubChem CID 143182881) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-(5-oxohexyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(5-oxohexyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione
PubChem CID143182881
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Name1-(5-oxohexyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione
SMILESCC(=O)CCCCN1C(=O)C=CC1=O.CC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO3.C9H11NO3/c1-8(12)4-2-3-7-11-9(13)5-6-10(11)14;1-7(11)3-2-6-10-8(12)4-5-9(10)13/h5-6H,2-4,7H2,1H3;4-5H,2-3,6H2,1H3
InChIKeyBHHBQVIUARFLEQ-UHFFFAOYSA-N
XLogP0.95
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-(5-oxohexyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione?
The IUPAC name of 1-(5-oxohexyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione (CID 143182881) is 1-(5-oxohexyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(5-oxohexyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(5-oxohexyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione is CC(=O)CCCCN1C(=O)C=CC1=O.CC(=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(5-oxohexyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione?
The InChIKey is BHHBQVIUARFLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3.C9H11NO3/c1-8(12)4-2-3-7-11-9(13)5-6-10(11)14;1-7(11)3-2-6-10-8(12)4-5-9(10)13/h5-6H,2-4,7H2,1H3;4-5H,2-3,6H2,1H3.
What are the key properties of 1-(5-oxohexyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione?
1-(5-oxohexyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione has a molecular weight of 376.41 g/mol, XLogP of 0.95, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxohexyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione is sourced from PubChem (CID 143182881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).