1-acetyl-N-(5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide

C11H17N3O3 — CID 138042778

IUPAC1-acetyl-N-(5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)NC1CNC(=O)C1
InChIInChI=1S/C11H17N3O3/c1-7(15)14-4-2-3-9(14)11(17)13-8-5-10(16)12-6-8/h8-9H,2-6H2,1H3,(H,12,16)(H,13,17)
InChIKeySQXTWMUIDAVLBS-UHFFFAOYSA-N
MW239.27 g/mol
LogP-1.00
Rot. Bonds2

About 1-acetyl-N-(5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide

1-acetyl-N-(5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide (PubChem CID 138042778) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-acetyl-N-(5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide
PubChem CID138042778
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name1-acetyl-N-(5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)NC1CNC(=O)C1
InChIInChI=1S/C11H17N3O3/c1-7(15)14-4-2-3-9(14)11(17)13-8-5-10(16)12-6-8/h8-9H,2-6H2,1H3,(H,12,16)(H,13,17)
InChIKeySQXTWMUIDAVLBS-UHFFFAOYSA-N
XLogP-1.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-(5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide (CID 138042778) is 1-acetyl-N-(5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-(5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-(5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide is CC(=O)N1CCCC1C(=O)NC1CNC(=O)C1.
What is the InChIKey of 1-acetyl-N-(5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is SQXTWMUIDAVLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(15)14-4-2-3-9(14)11(17)13-8-5-10(16)12-6-8/h8-9H,2-6H2,1H3,(H,12,16)(H,13,17).
What are the key properties of 1-acetyl-N-(5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide?
1-acetyl-N-(5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 138042778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).