3-ethyl-2,4-dimethyl-5-methylidenepyrrole

C9H13N — CID 149079420

IUPAC3-ethyl-2,4-dimethyl-5-methylidenepyrrole
SMILESC=C1N=C(C)C(CC)=C1C
InChIInChI=1S/C9H13N/c1-5-9-6(2)7(3)10-8(9)4/h3,5H2,1-2,4H3
InChIKeyQPVKOUXPBQGKQL-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.70
Rot. Bonds1

About 3-ethyl-2,4-dimethyl-5-methylidenepyrrole

3-ethyl-2,4-dimethyl-5-methylidenepyrrole (PubChem CID 149079420) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 3-ethyl-2,4-dimethyl-5-methylidenepyrrole.

Molecular Properties

Compound Name3-ethyl-2,4-dimethyl-5-methylidenepyrrole
PubChem CID149079420
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name3-ethyl-2,4-dimethyl-5-methylidenepyrrole
SMILESC=C1N=C(C)C(CC)=C1C
InChIInChI=1S/C9H13N/c1-5-9-6(2)7(3)10-8(9)4/h3,5H2,1-2,4H3
InChIKeyQPVKOUXPBQGKQL-UHFFFAOYSA-N
XLogP2.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-2,4-dimethyl-5-methylidenepyrrole 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 3-ethyl-2,4-dimethyl-5-methylidenepyrrole?
The IUPAC name of 3-ethyl-2,4-dimethyl-5-methylidenepyrrole (CID 149079420) is 3-ethyl-2,4-dimethyl-5-methylidenepyrrole.
What is the SMILES notation for 3-ethyl-2,4-dimethyl-5-methylidenepyrrole?
The canonical SMILES for 3-ethyl-2,4-dimethyl-5-methylidenepyrrole is C=C1N=C(C)C(CC)=C1C.
What is the InChIKey of 3-ethyl-2,4-dimethyl-5-methylidenepyrrole?
The InChIKey is QPVKOUXPBQGKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-5-9-6(2)7(3)10-8(9)4/h3,5H2,1-2,4H3.
What are the key properties of 3-ethyl-2,4-dimethyl-5-methylidenepyrrole?
3-ethyl-2,4-dimethyl-5-methylidenepyrrole has a molecular weight of 135.21 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4-dimethyl-5-methylidenepyrrole is sourced from PubChem (CID 149079420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).