N,N-bis[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide

C12H15N3O5 — CID 3588259

IUPACN,N-bis[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide
SMILESCC(=O)N(CN1C(=O)CCC1=O)CN1C(=O)CCC1=O
InChIInChI=1S/C12H15N3O5/c1-8(16)13(6-14-9(17)2-3-10(14)18)7-15-11(19)4-5-12(15)20/h2-7H2,1H3
InChIKeyDUBOIVXYXHZKTN-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.95
Rot. Bonds4

About N,N-bis[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide

N,N-bis[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide (PubChem CID 3588259) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is N,N-bis[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN,N-bis[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide
PubChem CID3588259
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC NameN,N-bis[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide
SMILESCC(=O)N(CN1C(=O)CCC1=O)CN1C(=O)CCC1=O
InChIInChI=1S/C12H15N3O5/c1-8(16)13(6-14-9(17)2-3-10(14)18)7-15-11(19)4-5-12(15)20/h2-7H2,1H3
InChIKeyDUBOIVXYXHZKTN-UHFFFAOYSA-N
XLogP-0.95
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.95
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 N,N-bis[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide?
The IUPAC name of N,N-bis[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide (CID 3588259) is N,N-bis[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide.
What is the SMILES notation for N,N-bis[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide?
The canonical SMILES for N,N-bis[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide is CC(=O)N(CN1C(=O)CCC1=O)CN1C(=O)CCC1=O.
What is the InChIKey of N,N-bis[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide?
The InChIKey is DUBOIVXYXHZKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-8(16)13(6-14-9(17)2-3-10(14)18)7-15-11(19)4-5-12(15)20/h2-7H2,1H3.
What are the key properties of N,N-bis[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide?
N,N-bis[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide has a molecular weight of 281.27 g/mol, XLogP of -0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(2,5-dioxopyrrolidin-1-yl)methyl]acetamide is sourced from PubChem (CID 3588259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).