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

C8H13NO — CID 55286077

IUPAC4-ethyl-2,3-dimethyl-1,2-dihydropyrrol-5-one
SMILESCCC1=C(C)C(C)NC1=O
InChIInChI=1S/C8H13NO/c1-4-7-5(2)6(3)9-8(7)10/h6H,4H2,1-3H3,(H,9,10)
InChIKeySEMCEFKXMYZIHR-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.23
Rot. Bonds1

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

4-ethyl-2,3-dimethyl-1,2-dihydropyrrol-5-one (PubChem CID 55286077) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-ethyl-2,3-dimethyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-ethyl-2,3-dimethyl-1,2-dihydropyrrol-5-one
PubChem CID55286077
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-ethyl-2,3-dimethyl-1,2-dihydropyrrol-5-one
SMILESCCC1=C(C)C(C)NC1=O
InChIInChI=1S/C8H13NO/c1-4-7-5(2)6(3)9-8(7)10/h6H,4H2,1-3H3,(H,9,10)
InChIKeySEMCEFKXMYZIHR-UHFFFAOYSA-N
XLogP1.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-dimethyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-ethyl-2,3-dimethyl-1,2-dihydropyrrol-5-one (CID 55286077) is 4-ethyl-2,3-dimethyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-ethyl-2,3-dimethyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-ethyl-2,3-dimethyl-1,2-dihydropyrrol-5-one is CCC1=C(C)C(C)NC1=O.
What is the InChIKey of 4-ethyl-2,3-dimethyl-1,2-dihydropyrrol-5-one?
The InChIKey is SEMCEFKXMYZIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-7-5(2)6(3)9-8(7)10/h6H,4H2,1-3H3,(H,9,10).
What are the key properties of 4-ethyl-2,3-dimethyl-1,2-dihydropyrrol-5-one?
4-ethyl-2,3-dimethyl-1,2-dihydropyrrol-5-one has a molecular weight of 139.20 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-dimethyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 55286077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).