4-acetyl-4-(methylamino)pyrrolidin-2-one

C7H12N2O2 — CID 59817396

IUPAC4-acetyl-4-(methylamino)pyrrolidin-2-one
SMILESCNC1(C(C)=O)CNC(=O)C1
InChIInChI=1S/C7H12N2O2/c1-5(10)7(8-2)3-6(11)9-4-7/h8H,3-4H2,1-2H3,(H,9,11)
InChIKeyFMCCSMUFXJXBDC-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.95
Rot. Bonds2

About 4-acetyl-4-(methylamino)pyrrolidin-2-one

4-acetyl-4-(methylamino)pyrrolidin-2-one (PubChem CID 59817396) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 4-acetyl-4-(methylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name4-acetyl-4-(methylamino)pyrrolidin-2-one
PubChem CID59817396
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name4-acetyl-4-(methylamino)pyrrolidin-2-one
SMILESCNC1(C(C)=O)CNC(=O)C1
InChIInChI=1S/C7H12N2O2/c1-5(10)7(8-2)3-6(11)9-4-7/h8H,3-4H2,1-2H3,(H,9,11)
InChIKeyFMCCSMUFXJXBDC-UHFFFAOYSA-N
XLogP-0.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-4-(methylamino)pyrrolidin-2-one?
The IUPAC name of 4-acetyl-4-(methylamino)pyrrolidin-2-one (CID 59817396) is 4-acetyl-4-(methylamino)pyrrolidin-2-one.
What is the SMILES notation for 4-acetyl-4-(methylamino)pyrrolidin-2-one?
The canonical SMILES for 4-acetyl-4-(methylamino)pyrrolidin-2-one is CNC1(C(C)=O)CNC(=O)C1.
What is the InChIKey of 4-acetyl-4-(methylamino)pyrrolidin-2-one?
The InChIKey is FMCCSMUFXJXBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5(10)7(8-2)3-6(11)9-4-7/h8H,3-4H2,1-2H3,(H,9,11).
What are the key properties of 4-acetyl-4-(methylamino)pyrrolidin-2-one?
4-acetyl-4-(methylamino)pyrrolidin-2-one has a molecular weight of 156.19 g/mol, XLogP of -0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-4-(methylamino)pyrrolidin-2-one is sourced from PubChem (CID 59817396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).