3-methyl-1-[5-(3-methyl-2,5-dioxopyrrol-1-yl)pentyl]pyrrole-2,5-dione

C15H18N2O4 — CID 19968749

IUPAC3-methyl-1-[5-(3-methyl-2,5-dioxopyrrol-1-yl)pentyl]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(CCCCCN2C(=O)C=C(C)C2=O)C1=O
InChIInChI=1S/C15H18N2O4/c1-10-8-12(18)16(14(10)20)6-4-3-5-7-17-13(19)9-11(2)15(17)21/h8-9H,3-7H2,1-2H3
InChIKeyZAVYRBUPZLNHNX-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.79
Rot. Bonds6

About 3-methyl-1-[5-(3-methyl-2,5-dioxopyrrol-1-yl)pentyl]pyrrole-2,5-dione

3-methyl-1-[5-(3-methyl-2,5-dioxopyrrol-1-yl)pentyl]pyrrole-2,5-dione (PubChem CID 19968749) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-methyl-1-[5-(3-methyl-2,5-dioxopyrrol-1-yl)pentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[5-(3-methyl-2,5-dioxopyrrol-1-yl)pentyl]pyrrole-2,5-dione
PubChem CID19968749
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-methyl-1-[5-(3-methyl-2,5-dioxopyrrol-1-yl)pentyl]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(CCCCCN2C(=O)C=C(C)C2=O)C1=O
InChIInChI=1S/C15H18N2O4/c1-10-8-12(18)16(14(10)20)6-4-3-5-7-17-13(19)9-11(2)15(17)21/h8-9H,3-7H2,1-2H3
InChIKeyZAVYRBUPZLNHNX-UHFFFAOYSA-N
XLogP0.79
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-methyl-1-[5-(3-methyl-2,5-dioxopyrrol-1-yl)pentyl]pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-[5-(3-methyl-2,5-dioxopyrrol-1-yl)pentyl]pyrrole-2,5-dione (CID 19968749) is 3-methyl-1-[5-(3-methyl-2,5-dioxopyrrol-1-yl)pentyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-[5-(3-methyl-2,5-dioxopyrrol-1-yl)pentyl]pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-[5-(3-methyl-2,5-dioxopyrrol-1-yl)pentyl]pyrrole-2,5-dione is CC1=CC(=O)N(CCCCCN2C(=O)C=C(C)C2=O)C1=O.
What is the InChIKey of 3-methyl-1-[5-(3-methyl-2,5-dioxopyrrol-1-yl)pentyl]pyrrole-2,5-dione?
The InChIKey is ZAVYRBUPZLNHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10-8-12(18)16(14(10)20)6-4-3-5-7-17-13(19)9-11(2)15(17)21/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-methyl-1-[5-(3-methyl-2,5-dioxopyrrol-1-yl)pentyl]pyrrole-2,5-dione?
3-methyl-1-[5-(3-methyl-2,5-dioxopyrrol-1-yl)pentyl]pyrrole-2,5-dione has a molecular weight of 290.32 g/mol, XLogP of 0.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[5-(3-methyl-2,5-dioxopyrrol-1-yl)pentyl]pyrrole-2,5-dione is sourced from PubChem (CID 19968749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).