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

C6H9NO — CID 12007564

IUPAC2,4-dimethyl-1,2-dihydropyrrol-5-one
SMILESCC1=CC(C)NC1=O
InChIInChI=1S/C6H9NO/c1-4-3-5(2)7-6(4)8/h3,5H,1-2H3,(H,7,8)
InChIKeyWYUWENAFERRNRA-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.45
Rot. Bonds

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

2,4-dimethyl-1,2-dihydropyrrol-5-one (PubChem CID 12007564) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2,4-dimethyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name2,4-dimethyl-1,2-dihydropyrrol-5-one
PubChem CID12007564
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2,4-dimethyl-1,2-dihydropyrrol-5-one
SMILESCC1=CC(C)NC1=O
InChIInChI=1S/C6H9NO/c1-4-3-5(2)7-6(4)8/h3,5H,1-2H3,(H,7,8)
InChIKeyWYUWENAFERRNRA-UHFFFAOYSA-N
XLogP0.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 2,4-dimethyl-1,2-dihydropyrrol-5-one (CID 12007564) is 2,4-dimethyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 2,4-dimethyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 2,4-dimethyl-1,2-dihydropyrrol-5-one is CC1=CC(C)NC1=O.
What is the InChIKey of 2,4-dimethyl-1,2-dihydropyrrol-5-one?
The InChIKey is WYUWENAFERRNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-4-3-5(2)7-6(4)8/h3,5H,1-2H3,(H,7,8).
What are the key properties of 2,4-dimethyl-1,2-dihydropyrrol-5-one?
2,4-dimethyl-1,2-dihydropyrrol-5-one has a molecular weight of 111.14 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 12007564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).