1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione

C14H16N2O4 — CID 4519557

IUPAC1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione
SMILESCC(CCCN1C(=O)C=CC1=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C14H16N2O4/c1-10(9-16-13(19)6-7-14(16)20)3-2-8-15-11(17)4-5-12(15)18/h4-7,10H,2-3,8-9H2,1H3
InChIKeyGQWVSMZIXHLFQM-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.25
Rot. Bonds6

About 1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione

1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione (PubChem CID 4519557) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione
PubChem CID4519557
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione
SMILESCC(CCCN1C(=O)C=CC1=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C14H16N2O4/c1-10(9-16-13(19)6-7-14(16)20)3-2-8-15-11(17)4-5-12(15)18/h4-7,10H,2-3,8-9H2,1H3
InChIKeyGQWVSMZIXHLFQM-UHFFFAOYSA-N
XLogP0.25
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione?
The IUPAC name of 1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione (CID 4519557) is 1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione is CC(CCCN1C(=O)C=CC1=O)CN1C(=O)C=CC1=O.
What is the InChIKey of 1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione?
The InChIKey is GQWVSMZIXHLFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-10(9-16-13(19)6-7-14(16)20)3-2-8-15-11(17)4-5-12(15)18/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of 1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione?
1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione has a molecular weight of 276.29 g/mol, XLogP of 0.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dioxopyrrol-1-yl)-4-methylpentyl]pyrrole-2,5-dione is sourced from PubChem (CID 4519557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).