1-ethyl-2,4-dimethyl-2H-pyrrol-5-one

C8H13NO — CID 13331587

IUPAC1-ethyl-2,4-dimethyl-2H-pyrrol-5-one
SMILESCCN1C(=O)C(C)=CC1C
InChIInChI=1S/C8H13NO/c1-4-9-7(3)5-6(2)8(9)10/h5,7H,4H2,1-3H3
InChIKeyKTVVREWUACXDJJ-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.18
Rot. Bonds1

About 1-ethyl-2,4-dimethyl-2H-pyrrol-5-one

1-ethyl-2,4-dimethyl-2H-pyrrol-5-one (PubChem CID 13331587) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-ethyl-2,4-dimethyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-ethyl-2,4-dimethyl-2H-pyrrol-5-one
PubChem CID13331587
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-ethyl-2,4-dimethyl-2H-pyrrol-5-one
SMILESCCN1C(=O)C(C)=CC1C
InChIInChI=1S/C8H13NO/c1-4-9-7(3)5-6(2)8(9)10/h5,7H,4H2,1-3H3
InChIKeyKTVVREWUACXDJJ-UHFFFAOYSA-N
XLogP1.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4-dimethyl-2H-pyrrol-5-one?
The IUPAC name of 1-ethyl-2,4-dimethyl-2H-pyrrol-5-one (CID 13331587) is 1-ethyl-2,4-dimethyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-ethyl-2,4-dimethyl-2H-pyrrol-5-one?
The canonical SMILES for 1-ethyl-2,4-dimethyl-2H-pyrrol-5-one is CCN1C(=O)C(C)=CC1C.
What is the InChIKey of 1-ethyl-2,4-dimethyl-2H-pyrrol-5-one?
The InChIKey is KTVVREWUACXDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-9-7(3)5-6(2)8(9)10/h5,7H,4H2,1-3H3.
What are the key properties of 1-ethyl-2,4-dimethyl-2H-pyrrol-5-one?
1-ethyl-2,4-dimethyl-2H-pyrrol-5-one has a molecular weight of 139.20 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4-dimethyl-2H-pyrrol-5-one is sourced from PubChem (CID 13331587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).