2-(3,4-dimethylpentyl)-3-ethyl-4-methylidenepyrrole

C14H23N — CID 174266194

IUPAC2-(3,4-dimethylpentyl)-3-ethyl-4-methylidenepyrrole
SMILESC=C1C=NC(CCC(C)C(C)C)=C1CC
InChIInChI=1S/C14H23N/c1-6-13-12(5)9-15-14(13)8-7-11(4)10(2)3/h9-11H,5-8H2,1-4H3
InChIKeyBMAUVHGESSCYCJ-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.36
Rot. Bonds5

About 2-(3,4-dimethylpentyl)-3-ethyl-4-methylidenepyrrole

2-(3,4-dimethylpentyl)-3-ethyl-4-methylidenepyrrole (PubChem CID 174266194) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 2-(3,4-dimethylpentyl)-3-ethyl-4-methylidenepyrrole.

Molecular Properties

Compound Name2-(3,4-dimethylpentyl)-3-ethyl-4-methylidenepyrrole
PubChem CID174266194
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name2-(3,4-dimethylpentyl)-3-ethyl-4-methylidenepyrrole
SMILESC=C1C=NC(CCC(C)C(C)C)=C1CC
InChIInChI=1S/C14H23N/c1-6-13-12(5)9-15-14(13)8-7-11(4)10(2)3/h9-11H,5-8H2,1-4H3
InChIKeyBMAUVHGESSCYCJ-UHFFFAOYSA-N
XLogP4.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3,4-dimethylpentyl)-3-ethyl-4-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 2-(3,4-dimethylpentyl)-3-ethyl-4-methylidenepyrrole?
The IUPAC name of 2-(3,4-dimethylpentyl)-3-ethyl-4-methylidenepyrrole (CID 174266194) is 2-(3,4-dimethylpentyl)-3-ethyl-4-methylidenepyrrole.
What is the SMILES notation for 2-(3,4-dimethylpentyl)-3-ethyl-4-methylidenepyrrole?
The canonical SMILES for 2-(3,4-dimethylpentyl)-3-ethyl-4-methylidenepyrrole is C=C1C=NC(CCC(C)C(C)C)=C1CC.
What is the InChIKey of 2-(3,4-dimethylpentyl)-3-ethyl-4-methylidenepyrrole?
The InChIKey is BMAUVHGESSCYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-6-13-12(5)9-15-14(13)8-7-11(4)10(2)3/h9-11H,5-8H2,1-4H3.
What are the key properties of 2-(3,4-dimethylpentyl)-3-ethyl-4-methylidenepyrrole?
2-(3,4-dimethylpentyl)-3-ethyl-4-methylidenepyrrole has a molecular weight of 205.34 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpentyl)-3-ethyl-4-methylidenepyrrole is sourced from PubChem (CID 174266194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).