1-[3-(2-oxopyrrolidin-1-yl)butyl]pyrrolidin-2-one

C12H20N2O2 — CID 10220147

IUPAC1-[3-(2-oxopyrrolidin-1-yl)butyl]pyrrolidin-2-one
SMILESCC(CCN1CCCC1=O)N1CCCC1=O
InChIInChI=1S/C12H20N2O2/c1-10(14-8-3-5-12(14)16)6-9-13-7-2-4-11(13)15/h10H,2-9H2,1H3
InChIKeyLTOOVYLISZJYHE-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.01
Rot. Bonds4

About 1-[3-(2-oxopyrrolidin-1-yl)butyl]pyrrolidin-2-one

1-[3-(2-oxopyrrolidin-1-yl)butyl]pyrrolidin-2-one (PubChem CID 10220147) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[3-(2-oxopyrrolidin-1-yl)butyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(2-oxopyrrolidin-1-yl)butyl]pyrrolidin-2-one
PubChem CID10220147
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-[3-(2-oxopyrrolidin-1-yl)butyl]pyrrolidin-2-one
SMILESCC(CCN1CCCC1=O)N1CCCC1=O
InChIInChI=1S/C12H20N2O2/c1-10(14-8-3-5-12(14)16)6-9-13-7-2-4-11(13)15/h10H,2-9H2,1H3
InChIKeyLTOOVYLISZJYHE-UHFFFAOYSA-N
XLogP1.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-oxopyrrolidin-1-yl)butyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(2-oxopyrrolidin-1-yl)butyl]pyrrolidin-2-one (CID 10220147) is 1-[3-(2-oxopyrrolidin-1-yl)butyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(2-oxopyrrolidin-1-yl)butyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(2-oxopyrrolidin-1-yl)butyl]pyrrolidin-2-one is CC(CCN1CCCC1=O)N1CCCC1=O.
What is the InChIKey of 1-[3-(2-oxopyrrolidin-1-yl)butyl]pyrrolidin-2-one?
The InChIKey is LTOOVYLISZJYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10(14-8-3-5-12(14)16)6-9-13-7-2-4-11(13)15/h10H,2-9H2,1H3.
What are the key properties of 1-[3-(2-oxopyrrolidin-1-yl)butyl]pyrrolidin-2-one?
1-[3-(2-oxopyrrolidin-1-yl)butyl]pyrrolidin-2-one has a molecular weight of 224.30 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxopyrrolidin-1-yl)butyl]pyrrolidin-2-one is sourced from PubChem (CID 10220147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).