4-acetylpyrrolidin-2-one

C6H9NO2 — CID 22507608

IUPAC4-acetylpyrrolidin-2-one
SMILESCC(=O)C1CNC(=O)C1
InChIInChI=1S/C6H9NO2/c1-4(8)5-2-6(9)7-3-5/h5H,2-3H2,1H3,(H,7,9)
InChIKeyHGFMLTBCDITYCH-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.29
Rot. Bonds1

About 4-acetylpyrrolidin-2-one

4-acetylpyrrolidin-2-one (PubChem CID 22507608) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 4-acetylpyrrolidin-2-one.

Molecular Properties

Compound Name4-acetylpyrrolidin-2-one
PubChem CID22507608
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name4-acetylpyrrolidin-2-one
SMILESCC(=O)C1CNC(=O)C1
InChIInChI=1S/C6H9NO2/c1-4(8)5-2-6(9)7-3-5/h5H,2-3H2,1H3,(H,7,9)
InChIKeyHGFMLTBCDITYCH-UHFFFAOYSA-N
XLogP-0.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetylpyrrolidin-2-one?
The IUPAC name of 4-acetylpyrrolidin-2-one (CID 22507608) is 4-acetylpyrrolidin-2-one.
What is the SMILES notation for 4-acetylpyrrolidin-2-one?
The canonical SMILES for 4-acetylpyrrolidin-2-one is CC(=O)C1CNC(=O)C1.
What is the InChIKey of 4-acetylpyrrolidin-2-one?
The InChIKey is HGFMLTBCDITYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-4(8)5-2-6(9)7-3-5/h5H,2-3H2,1H3,(H,7,9).
What are the key properties of 4-acetylpyrrolidin-2-one?
4-acetylpyrrolidin-2-one has a molecular weight of 127.14 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetylpyrrolidin-2-one is sourced from PubChem (CID 22507608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).