(2,5-dioxopyrrolidin-1-yl) 4,5-bis(2,5-dioxopyrrol-1-yl)pentanoate

C17H15N3O8 — CID 118547235

IUPAC(2,5-dioxopyrrolidin-1-yl) 4,5-bis(2,5-dioxopyrrol-1-yl)pentanoate
SMILESO=C(CCC(CN1C(=O)C=CC1=O)N1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C17H15N3O8/c21-11-2-3-12(22)18(11)9-10(19-13(23)4-5-14(19)24)1-8-17(27)28-20-15(25)6-7-16(20)26/h2-5,10H,1,6-9H2
InChIKeyZVWPATTWIMASPT-UHFFFAOYSA-N
MW389.32 g/mol
LogP-1.41
Rot. Bonds7

About (2,5-dioxopyrrolidin-1-yl) 4,5-bis(2,5-dioxopyrrol-1-yl)pentanoate

(2,5-dioxopyrrolidin-1-yl) 4,5-bis(2,5-dioxopyrrol-1-yl)pentanoate (PubChem CID 118547235) has the molecular formula C17H15N3O8 and a molecular weight of 389.32 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4,5-bis(2,5-dioxopyrrol-1-yl)pentanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4,5-bis(2,5-dioxopyrrol-1-yl)pentanoate
PubChem CID118547235
Molecular FormulaC17H15N3O8
Molecular Weight389.32 g/mol
Exact Mass389.09
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4,5-bis(2,5-dioxopyrrol-1-yl)pentanoate
SMILESO=C(CCC(CN1C(=O)C=CC1=O)N1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C17H15N3O8/c21-11-2-3-12(22)18(11)9-10(19-13(23)4-5-14(19)24)1-8-17(27)28-20-15(25)6-7-16(20)26/h2-5,10H,1,6-9H2
InChIKeyZVWPATTWIMASPT-UHFFFAOYSA-N
XLogP-1.41
TPSA138.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 5-1.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4,5-bis(2,5-dioxopyrrol-1-yl)pentanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4,5-bis(2,5-dioxopyrrol-1-yl)pentanoate (CID 118547235) is (2,5-dioxopyrrolidin-1-yl) 4,5-bis(2,5-dioxopyrrol-1-yl)pentanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4,5-bis(2,5-dioxopyrrol-1-yl)pentanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4,5-bis(2,5-dioxopyrrol-1-yl)pentanoate is O=C(CCC(CN1C(=O)C=CC1=O)N1C(=O)C=CC1=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4,5-bis(2,5-dioxopyrrol-1-yl)pentanoate?
The InChIKey is ZVWPATTWIMASPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O8/c21-11-2-3-12(22)18(11)9-10(19-13(23)4-5-14(19)24)1-8-17(27)28-20-15(25)6-7-16(20)26/h2-5,10H,1,6-9H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4,5-bis(2,5-dioxopyrrol-1-yl)pentanoate?
(2,5-dioxopyrrolidin-1-yl) 4,5-bis(2,5-dioxopyrrol-1-yl)pentanoate has a molecular weight of 389.32 g/mol, XLogP of -1.41, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4,5-bis(2,5-dioxopyrrol-1-yl)pentanoate is sourced from PubChem (CID 118547235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).