1-[5-(2,5-dioxocyclopent-3-en-1-yl)-4-methylpentyl]pyrrole-2,5-dione

C15H17NO4 — CID 126582004

IUPAC1-[5-(2,5-dioxocyclopent-3-en-1-yl)-4-methylpentyl]pyrrole-2,5-dione
SMILESCC(CCCN1C(=O)C=CC1=O)CC1C(=O)C=CC1=O
InChIInChI=1S/C15H17NO4/c1-10(9-11-12(17)4-5-13(11)18)3-2-8-16-14(19)6-7-15(16)20/h4-7,10-11H,2-3,8-9H2,1H3
InChIKeyDBYVLEYNUDZNNT-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.04
Rot. Bonds6

About 1-[5-(2,5-dioxocyclopent-3-en-1-yl)-4-methylpentyl]pyrrole-2,5-dione

1-[5-(2,5-dioxocyclopent-3-en-1-yl)-4-methylpentyl]pyrrole-2,5-dione (PubChem CID 126582004) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-[5-(2,5-dioxocyclopent-3-en-1-yl)-4-methylpentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[5-(2,5-dioxocyclopent-3-en-1-yl)-4-methylpentyl]pyrrole-2,5-dione
PubChem CID126582004
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name1-[5-(2,5-dioxocyclopent-3-en-1-yl)-4-methylpentyl]pyrrole-2,5-dione
SMILESCC(CCCN1C(=O)C=CC1=O)CC1C(=O)C=CC1=O
InChIInChI=1S/C15H17NO4/c1-10(9-11-12(17)4-5-13(11)18)3-2-8-16-14(19)6-7-15(16)20/h4-7,10-11H,2-3,8-9H2,1H3
InChIKeyDBYVLEYNUDZNNT-UHFFFAOYSA-N
XLogP1.04
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dioxocyclopent-3-en-1-yl)-4-methylpentyl]pyrrole-2,5-dione?
The IUPAC name of 1-[5-(2,5-dioxocyclopent-3-en-1-yl)-4-methylpentyl]pyrrole-2,5-dione (CID 126582004) is 1-[5-(2,5-dioxocyclopent-3-en-1-yl)-4-methylpentyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[5-(2,5-dioxocyclopent-3-en-1-yl)-4-methylpentyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[5-(2,5-dioxocyclopent-3-en-1-yl)-4-methylpentyl]pyrrole-2,5-dione is CC(CCCN1C(=O)C=CC1=O)CC1C(=O)C=CC1=O.
What is the InChIKey of 1-[5-(2,5-dioxocyclopent-3-en-1-yl)-4-methylpentyl]pyrrole-2,5-dione?
The InChIKey is DBYVLEYNUDZNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-10(9-11-12(17)4-5-13(11)18)3-2-8-16-14(19)6-7-15(16)20/h4-7,10-11H,2-3,8-9H2,1H3.
What are the key properties of 1-[5-(2,5-dioxocyclopent-3-en-1-yl)-4-methylpentyl]pyrrole-2,5-dione?
1-[5-(2,5-dioxocyclopent-3-en-1-yl)-4-methylpentyl]pyrrole-2,5-dione has a molecular weight of 275.30 g/mol, XLogP of 1.04, 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-dioxocyclopent-3-en-1-yl)-4-methylpentyl]pyrrole-2,5-dione is sourced from PubChem (CID 126582004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).