1-[2-(2-oxopyrrolidin-1-yl)butan-2-yl]pyrrolidin-2-one

C12H20N2O2 — CID 68731739

IUPAC1-[2-(2-oxopyrrolidin-1-yl)butan-2-yl]pyrrolidin-2-one
SMILESCCC(C)(N1CCCC1=O)N1CCCC1=O
InChIInChI=1S/C12H20N2O2/c1-3-12(2,13-8-4-6-10(13)15)14-9-5-7-11(14)16/h3-9H2,1-2H3
InChIKeySMQDYPQKGJHXFT-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.36
Rot. Bonds3

About 1-[2-(2-oxopyrrolidin-1-yl)butan-2-yl]pyrrolidin-2-one

1-[2-(2-oxopyrrolidin-1-yl)butan-2-yl]pyrrolidin-2-one (PubChem CID 68731739) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[2-(2-oxopyrrolidin-1-yl)butan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-oxopyrrolidin-1-yl)butan-2-yl]pyrrolidin-2-one
PubChem CID68731739
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-[2-(2-oxopyrrolidin-1-yl)butan-2-yl]pyrrolidin-2-one
SMILESCCC(C)(N1CCCC1=O)N1CCCC1=O
InChIInChI=1S/C12H20N2O2/c1-3-12(2,13-8-4-6-10(13)15)14-9-5-7-11(14)16/h3-9H2,1-2H3
InChIKeySMQDYPQKGJHXFT-UHFFFAOYSA-N
XLogP1.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxopyrrolidin-1-yl)butan-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(2-oxopyrrolidin-1-yl)butan-2-yl]pyrrolidin-2-one (CID 68731739) is 1-[2-(2-oxopyrrolidin-1-yl)butan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-oxopyrrolidin-1-yl)butan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-oxopyrrolidin-1-yl)butan-2-yl]pyrrolidin-2-one is CCC(C)(N1CCCC1=O)N1CCCC1=O.
What is the InChIKey of 1-[2-(2-oxopyrrolidin-1-yl)butan-2-yl]pyrrolidin-2-one?
The InChIKey is SMQDYPQKGJHXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-12(2,13-8-4-6-10(13)15)14-9-5-7-11(14)16/h3-9H2,1-2H3.
What are the key properties of 1-[2-(2-oxopyrrolidin-1-yl)butan-2-yl]pyrrolidin-2-one?
1-[2-(2-oxopyrrolidin-1-yl)butan-2-yl]pyrrolidin-2-one has a molecular weight of 224.30 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxopyrrolidin-1-yl)butan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 68731739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).