1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]ethyl]pyrrole-2,5-dione

C13H15N3O4 — CID 58435843

IUPAC1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]ethyl]pyrrole-2,5-dione
SMILESCN(CCN1C(=O)C=CC1=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H15N3O4/c1-14(6-8-15-10(17)2-3-11(15)18)7-9-16-12(19)4-5-13(16)20/h2-5H,6-9H2,1H3
InChIKeyHBUCEZROIUKNLW-UHFFFAOYSA-N
MW277.28 g/mol
LogP-1.23
Rot. Bonds6

About 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]ethyl]pyrrole-2,5-dione

1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]ethyl]pyrrole-2,5-dione (PubChem CID 58435843) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]ethyl]pyrrole-2,5-dione
PubChem CID58435843
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]ethyl]pyrrole-2,5-dione
SMILESCN(CCN1C(=O)C=CC1=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H15N3O4/c1-14(6-8-15-10(17)2-3-11(15)18)7-9-16-12(19)4-5-13(16)20/h2-5H,6-9H2,1H3
InChIKeyHBUCEZROIUKNLW-UHFFFAOYSA-N
XLogP-1.23
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-1.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]ethyl]pyrrole-2,5-dione (CID 58435843) is 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]ethyl]pyrrole-2,5-dione is CN(CCN1C(=O)C=CC1=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]ethyl]pyrrole-2,5-dione?
The InChIKey is HBUCEZROIUKNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-14(6-8-15-10(17)2-3-11(15)18)7-9-16-12(19)4-5-13(16)20/h2-5H,6-9H2,1H3.
What are the key properties of 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]ethyl]pyrrole-2,5-dione?
1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]ethyl]pyrrole-2,5-dione has a molecular weight of 277.28 g/mol, XLogP of -1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 58435843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).