3-(4-propan-2-ylpiperazin-1-yl)pyrrolidin-2-one

C11H21N3O — CID 21059971

IUPAC3-(4-propan-2-ylpiperazin-1-yl)pyrrolidin-2-one
SMILESCC(C)N1CCN(C2CCNC2=O)CC1
InChIInChI=1S/C11H21N3O/c1-9(2)13-5-7-14(8-6-13)10-3-4-12-11(10)15/h9-10H,3-8H2,1-2H3,(H,12,15)
InChIKeyJFLRIZXBJFBZDL-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.10
Rot. Bonds2

About 3-(4-propan-2-ylpiperazin-1-yl)pyrrolidin-2-one

3-(4-propan-2-ylpiperazin-1-yl)pyrrolidin-2-one (PubChem CID 21059971) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-(4-propan-2-ylpiperazin-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-propan-2-ylpiperazin-1-yl)pyrrolidin-2-one
PubChem CID21059971
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-(4-propan-2-ylpiperazin-1-yl)pyrrolidin-2-one
SMILESCC(C)N1CCN(C2CCNC2=O)CC1
InChIInChI=1S/C11H21N3O/c1-9(2)13-5-7-14(8-6-13)10-3-4-12-11(10)15/h9-10H,3-8H2,1-2H3,(H,12,15)
InChIKeyJFLRIZXBJFBZDL-UHFFFAOYSA-N
XLogP-0.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylpiperazin-1-yl)pyrrolidin-2-one?
The IUPAC name of 3-(4-propan-2-ylpiperazin-1-yl)pyrrolidin-2-one (CID 21059971) is 3-(4-propan-2-ylpiperazin-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-(4-propan-2-ylpiperazin-1-yl)pyrrolidin-2-one?
The canonical SMILES for 3-(4-propan-2-ylpiperazin-1-yl)pyrrolidin-2-one is CC(C)N1CCN(C2CCNC2=O)CC1.
What is the InChIKey of 3-(4-propan-2-ylpiperazin-1-yl)pyrrolidin-2-one?
The InChIKey is JFLRIZXBJFBZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(2)13-5-7-14(8-6-13)10-3-4-12-11(10)15/h9-10H,3-8H2,1-2H3,(H,12,15).
What are the key properties of 3-(4-propan-2-ylpiperazin-1-yl)pyrrolidin-2-one?
3-(4-propan-2-ylpiperazin-1-yl)pyrrolidin-2-one has a molecular weight of 211.31 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylpiperazin-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 21059971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).