1-[2-(2-oxopyrrolidin-1-yl)pentanoyl]imidazolidin-4-one

C12H19N3O3 — CID 70433877

IUPAC1-[2-(2-oxopyrrolidin-1-yl)pentanoyl]imidazolidin-4-one
SMILESCCCC(C(=O)N1CNC(=O)C1)N1CCCC1=O
InChIInChI=1S/C12H19N3O3/c1-2-4-9(15-6-3-5-11(15)17)12(18)14-7-10(16)13-8-14/h9H,2-8H2,1H3,(H,13,16)
InChIKeyLGYLYBVGYOWWLL-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.31
Rot. Bonds4

About 1-[2-(2-oxopyrrolidin-1-yl)pentanoyl]imidazolidin-4-one

1-[2-(2-oxopyrrolidin-1-yl)pentanoyl]imidazolidin-4-one (PubChem CID 70433877) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-[2-(2-oxopyrrolidin-1-yl)pentanoyl]imidazolidin-4-one.

Molecular Properties

Compound Name1-[2-(2-oxopyrrolidin-1-yl)pentanoyl]imidazolidin-4-one
PubChem CID70433877
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1-[2-(2-oxopyrrolidin-1-yl)pentanoyl]imidazolidin-4-one
SMILESCCCC(C(=O)N1CNC(=O)C1)N1CCCC1=O
InChIInChI=1S/C12H19N3O3/c1-2-4-9(15-6-3-5-11(15)17)12(18)14-7-10(16)13-8-14/h9H,2-8H2,1H3,(H,13,16)
InChIKeyLGYLYBVGYOWWLL-UHFFFAOYSA-N
XLogP-0.31
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxopyrrolidin-1-yl)pentanoyl]imidazolidin-4-one?
The IUPAC name of 1-[2-(2-oxopyrrolidin-1-yl)pentanoyl]imidazolidin-4-one (CID 70433877) is 1-[2-(2-oxopyrrolidin-1-yl)pentanoyl]imidazolidin-4-one.
What is the SMILES notation for 1-[2-(2-oxopyrrolidin-1-yl)pentanoyl]imidazolidin-4-one?
The canonical SMILES for 1-[2-(2-oxopyrrolidin-1-yl)pentanoyl]imidazolidin-4-one is CCCC(C(=O)N1CNC(=O)C1)N1CCCC1=O.
What is the InChIKey of 1-[2-(2-oxopyrrolidin-1-yl)pentanoyl]imidazolidin-4-one?
The InChIKey is LGYLYBVGYOWWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-2-4-9(15-6-3-5-11(15)17)12(18)14-7-10(16)13-8-14/h9H,2-8H2,1H3,(H,13,16).
What are the key properties of 1-[2-(2-oxopyrrolidin-1-yl)pentanoyl]imidazolidin-4-one?
1-[2-(2-oxopyrrolidin-1-yl)pentanoyl]imidazolidin-4-one has a molecular weight of 253.30 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxopyrrolidin-1-yl)pentanoyl]imidazolidin-4-one is sourced from PubChem (CID 70433877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).