3-acetyl-2,4-dimethyl-1,2-dihydropyrrol-5-one

C8H11NO2 — CID 135059939

IUPAC3-acetyl-2,4-dimethyl-1,2-dihydropyrrol-5-one
SMILESCC(=O)C1=C(C)C(=O)NC1C
InChIInChI=1S/C8H11NO2/c1-4-7(6(3)10)5(2)9-8(4)11/h5H,1-3H3,(H,9,11)
InChIKeyDCFQMALDWJWOKF-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.41
Rot. Bonds1

About 3-acetyl-2,4-dimethyl-1,2-dihydropyrrol-5-one

3-acetyl-2,4-dimethyl-1,2-dihydropyrrol-5-one (PubChem CID 135059939) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-acetyl-2,4-dimethyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-2,4-dimethyl-1,2-dihydropyrrol-5-one
PubChem CID135059939
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-acetyl-2,4-dimethyl-1,2-dihydropyrrol-5-one
SMILESCC(=O)C1=C(C)C(=O)NC1C
InChIInChI=1S/C8H11NO2/c1-4-7(6(3)10)5(2)9-8(4)11/h5H,1-3H3,(H,9,11)
InChIKeyDCFQMALDWJWOKF-UHFFFAOYSA-N
XLogP0.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2,4-dimethyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-acetyl-2,4-dimethyl-1,2-dihydropyrrol-5-one (CID 135059939) is 3-acetyl-2,4-dimethyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-acetyl-2,4-dimethyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-acetyl-2,4-dimethyl-1,2-dihydropyrrol-5-one is CC(=O)C1=C(C)C(=O)NC1C.
What is the InChIKey of 3-acetyl-2,4-dimethyl-1,2-dihydropyrrol-5-one?
The InChIKey is DCFQMALDWJWOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-4-7(6(3)10)5(2)9-8(4)11/h5H,1-3H3,(H,9,11).
What are the key properties of 3-acetyl-2,4-dimethyl-1,2-dihydropyrrol-5-one?
3-acetyl-2,4-dimethyl-1,2-dihydropyrrol-5-one has a molecular weight of 153.18 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2,4-dimethyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 135059939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).