4-ethyl-5-methyl-3,4-dihydro-2H-pyrrole

C7H13N — CID 12791710

IUPAC4-ethyl-5-methyl-3,4-dihydro-2H-pyrrole
SMILESCCC1CCN=C1C
InChIInChI=1S/C7H13N/c1-3-7-4-5-8-6(7)2/h7H,3-5H2,1-2H3
InChIKeyDIOPOFMJBUWDKS-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.88
Rot. Bonds1

About 4-ethyl-5-methyl-3,4-dihydro-2H-pyrrole

4-ethyl-5-methyl-3,4-dihydro-2H-pyrrole (PubChem CID 12791710) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 4-ethyl-5-methyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name4-ethyl-5-methyl-3,4-dihydro-2H-pyrrole
PubChem CID12791710
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name4-ethyl-5-methyl-3,4-dihydro-2H-pyrrole
SMILESCCC1CCN=C1C
InChIInChI=1S/C7H13N/c1-3-7-4-5-8-6(7)2/h7H,3-5H2,1-2H3
InChIKeyDIOPOFMJBUWDKS-UHFFFAOYSA-N
XLogP1.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-ethyl-5-methyl-3,4-dihydro-2H-pyrrole 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 4-ethyl-5-methyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 4-ethyl-5-methyl-3,4-dihydro-2H-pyrrole (CID 12791710) is 4-ethyl-5-methyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 4-ethyl-5-methyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 4-ethyl-5-methyl-3,4-dihydro-2H-pyrrole is CCC1CCN=C1C.
What is the InChIKey of 4-ethyl-5-methyl-3,4-dihydro-2H-pyrrole?
The InChIKey is DIOPOFMJBUWDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-3-7-4-5-8-6(7)2/h7H,3-5H2,1-2H3.
What are the key properties of 4-ethyl-5-methyl-3,4-dihydro-2H-pyrrole?
4-ethyl-5-methyl-3,4-dihydro-2H-pyrrole has a molecular weight of 111.19 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 12791710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).