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

C16H20N2O4 — CID 19911748

IUPAC1-[5-(2,5-dioxopyrrol-1-yl)-2,4,4-trimethylpentyl]pyrrole-2,5-dione
SMILESCC(CN1C(=O)C=CC1=O)CC(C)(C)CN1C(=O)C=CC1=O
InChIInChI=1S/C16H20N2O4/c1-11(9-17-12(19)4-5-13(17)20)8-16(2,3)10-18-14(21)6-7-15(18)22/h4-7,11H,8-10H2,1-3H3
InChIKeyXHVXKSZPWBMJSE-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.89
Rot. Bonds6

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

1-[5-(2,5-dioxopyrrol-1-yl)-2,4,4-trimethylpentyl]pyrrole-2,5-dione (PubChem CID 19911748) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[5-(2,5-dioxopyrrol-1-yl)-2,4,4-trimethylpentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[5-(2,5-dioxopyrrol-1-yl)-2,4,4-trimethylpentyl]pyrrole-2,5-dione
PubChem CID19911748
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name1-[5-(2,5-dioxopyrrol-1-yl)-2,4,4-trimethylpentyl]pyrrole-2,5-dione
SMILESCC(CN1C(=O)C=CC1=O)CC(C)(C)CN1C(=O)C=CC1=O
InChIInChI=1S/C16H20N2O4/c1-11(9-17-12(19)4-5-13(17)20)8-16(2,3)10-18-14(21)6-7-15(18)22/h4-7,11H,8-10H2,1-3H3
InChIKeyXHVXKSZPWBMJSE-UHFFFAOYSA-N
XLogP0.89
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.89
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)-2,4,4-trimethylpentyl]pyrrole-2,5-dione?
The IUPAC name of 1-[5-(2,5-dioxopyrrol-1-yl)-2,4,4-trimethylpentyl]pyrrole-2,5-dione (CID 19911748) is 1-[5-(2,5-dioxopyrrol-1-yl)-2,4,4-trimethylpentyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[5-(2,5-dioxopyrrol-1-yl)-2,4,4-trimethylpentyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[5-(2,5-dioxopyrrol-1-yl)-2,4,4-trimethylpentyl]pyrrole-2,5-dione is CC(CN1C(=O)C=CC1=O)CC(C)(C)CN1C(=O)C=CC1=O.
What is the InChIKey of 1-[5-(2,5-dioxopyrrol-1-yl)-2,4,4-trimethylpentyl]pyrrole-2,5-dione?
The InChIKey is XHVXKSZPWBMJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-11(9-17-12(19)4-5-13(17)20)8-16(2,3)10-18-14(21)6-7-15(18)22/h4-7,11H,8-10H2,1-3H3.
What are the key properties of 1-[5-(2,5-dioxopyrrol-1-yl)-2,4,4-trimethylpentyl]pyrrole-2,5-dione?
1-[5-(2,5-dioxopyrrol-1-yl)-2,4,4-trimethylpentyl]pyrrole-2,5-dione has a molecular weight of 304.35 g/mol, XLogP of 0.89, 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)-2,4,4-trimethylpentyl]pyrrole-2,5-dione is sourced from PubChem (CID 19911748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).