1-(2-ethyl-5-methyl-2,3-dihydro-1H-pyrrol-3-yl)ethanone

C9H15NO — CID 89345469

IUPAC1-(2-ethyl-5-methyl-2,3-dihydro-1H-pyrrol-3-yl)ethanone
SMILESCCC1NC(C)=CC1C(C)=O
InChIInChI=1S/C9H15NO/c1-4-9-8(7(3)11)5-6(2)10-9/h5,8-10H,4H2,1-3H3
InChIKeyVFLVVGRHJZYZKA-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.48
Rot. Bonds2

About 1-(2-ethyl-5-methyl-2,3-dihydro-1H-pyrrol-3-yl)ethanone

1-(2-ethyl-5-methyl-2,3-dihydro-1H-pyrrol-3-yl)ethanone (PubChem CID 89345469) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(2-ethyl-5-methyl-2,3-dihydro-1H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethyl-5-methyl-2,3-dihydro-1H-pyrrol-3-yl)ethanone
PubChem CID89345469
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(2-ethyl-5-methyl-2,3-dihydro-1H-pyrrol-3-yl)ethanone
SMILESCCC1NC(C)=CC1C(C)=O
InChIInChI=1S/C9H15NO/c1-4-9-8(7(3)11)5-6(2)10-9/h5,8-10H,4H2,1-3H3
InChIKeyVFLVVGRHJZYZKA-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-ethyl-5-methyl-2,3-dihydro-1H-pyrrol-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methyl-2,3-dihydro-1H-pyrrol-3-yl)ethanone?
The IUPAC name of 1-(2-ethyl-5-methyl-2,3-dihydro-1H-pyrrol-3-yl)ethanone (CID 89345469) is 1-(2-ethyl-5-methyl-2,3-dihydro-1H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(2-ethyl-5-methyl-2,3-dihydro-1H-pyrrol-3-yl)ethanone?
The canonical SMILES for 1-(2-ethyl-5-methyl-2,3-dihydro-1H-pyrrol-3-yl)ethanone is CCC1NC(C)=CC1C(C)=O.
What is the InChIKey of 1-(2-ethyl-5-methyl-2,3-dihydro-1H-pyrrol-3-yl)ethanone?
The InChIKey is VFLVVGRHJZYZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-9-8(7(3)11)5-6(2)10-9/h5,8-10H,4H2,1-3H3.
What are the key properties of 1-(2-ethyl-5-methyl-2,3-dihydro-1H-pyrrol-3-yl)ethanone?
1-(2-ethyl-5-methyl-2,3-dihydro-1H-pyrrol-3-yl)ethanone has a molecular weight of 153.22 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methyl-2,3-dihydro-1H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 89345469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).