3-[2-(methylamino)-3-oxobutyl]pyrrolidin-2-one

C9H16N2O2 — CID 22980711

IUPAC3-[2-(methylamino)-3-oxobutyl]pyrrolidin-2-one
SMILESCNC(CC1CCNC1=O)C(C)=O
InChIInChI=1S/C9H16N2O2/c1-6(12)8(10-2)5-7-3-4-11-9(7)13/h7-8,10H,3-5H2,1-2H3,(H,11,13)
InChIKeyXHKZDKODKIPRPP-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.31
Rot. Bonds4

About 3-[2-(methylamino)-3-oxobutyl]pyrrolidin-2-one

3-[2-(methylamino)-3-oxobutyl]pyrrolidin-2-one (PubChem CID 22980711) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-[2-(methylamino)-3-oxobutyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-(methylamino)-3-oxobutyl]pyrrolidin-2-one
PubChem CID22980711
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-[2-(methylamino)-3-oxobutyl]pyrrolidin-2-one
SMILESCNC(CC1CCNC1=O)C(C)=O
InChIInChI=1S/C9H16N2O2/c1-6(12)8(10-2)5-7-3-4-11-9(7)13/h7-8,10H,3-5H2,1-2H3,(H,11,13)
InChIKeyXHKZDKODKIPRPP-UHFFFAOYSA-N
XLogP-0.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)-3-oxobutyl]pyrrolidin-2-one?
The IUPAC name of 3-[2-(methylamino)-3-oxobutyl]pyrrolidin-2-one (CID 22980711) is 3-[2-(methylamino)-3-oxobutyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[2-(methylamino)-3-oxobutyl]pyrrolidin-2-one?
The canonical SMILES for 3-[2-(methylamino)-3-oxobutyl]pyrrolidin-2-one is CNC(CC1CCNC1=O)C(C)=O.
What is the InChIKey of 3-[2-(methylamino)-3-oxobutyl]pyrrolidin-2-one?
The InChIKey is XHKZDKODKIPRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-6(12)8(10-2)5-7-3-4-11-9(7)13/h7-8,10H,3-5H2,1-2H3,(H,11,13).
What are the key properties of 3-[2-(methylamino)-3-oxobutyl]pyrrolidin-2-one?
3-[2-(methylamino)-3-oxobutyl]pyrrolidin-2-one has a molecular weight of 184.24 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)-3-oxobutyl]pyrrolidin-2-one is sourced from PubChem (CID 22980711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).