3-ethyl-4-methylidene-2-(5-methyl-4-methylidenehexyl)pyrrole

C15H23N — CID 174255827

IUPAC3-ethyl-4-methylidene-2-(5-methyl-4-methylidenehexyl)pyrrole
SMILESC=C1C=NC(CCCC(=C)C(C)C)=C1CC
InChIInChI=1S/C15H23N/c1-6-14-13(5)10-16-15(14)9-7-8-12(4)11(2)3/h10-11H,4-9H2,1-3H3
InChIKeyLEUKKTZRHLHKLA-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.67
Rot. Bonds6

About 3-ethyl-4-methylidene-2-(5-methyl-4-methylidenehexyl)pyrrole

3-ethyl-4-methylidene-2-(5-methyl-4-methylidenehexyl)pyrrole (PubChem CID 174255827) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-ethyl-4-methylidene-2-(5-methyl-4-methylidenehexyl)pyrrole.

Molecular Properties

Compound Name3-ethyl-4-methylidene-2-(5-methyl-4-methylidenehexyl)pyrrole
PubChem CID174255827
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3-ethyl-4-methylidene-2-(5-methyl-4-methylidenehexyl)pyrrole
SMILESC=C1C=NC(CCCC(=C)C(C)C)=C1CC
InChIInChI=1S/C15H23N/c1-6-14-13(5)10-16-15(14)9-7-8-12(4)11(2)3/h10-11H,4-9H2,1-3H3
InChIKeyLEUKKTZRHLHKLA-UHFFFAOYSA-N
XLogP4.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methylidene-2-(5-methyl-4-methylidenehexyl)pyrrole?
The IUPAC name of 3-ethyl-4-methylidene-2-(5-methyl-4-methylidenehexyl)pyrrole (CID 174255827) is 3-ethyl-4-methylidene-2-(5-methyl-4-methylidenehexyl)pyrrole.
What is the SMILES notation for 3-ethyl-4-methylidene-2-(5-methyl-4-methylidenehexyl)pyrrole?
The canonical SMILES for 3-ethyl-4-methylidene-2-(5-methyl-4-methylidenehexyl)pyrrole is C=C1C=NC(CCCC(=C)C(C)C)=C1CC.
What is the InChIKey of 3-ethyl-4-methylidene-2-(5-methyl-4-methylidenehexyl)pyrrole?
The InChIKey is LEUKKTZRHLHKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-6-14-13(5)10-16-15(14)9-7-8-12(4)11(2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-ethyl-4-methylidene-2-(5-methyl-4-methylidenehexyl)pyrrole?
3-ethyl-4-methylidene-2-(5-methyl-4-methylidenehexyl)pyrrole has a molecular weight of 217.36 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methylidene-2-(5-methyl-4-methylidenehexyl)pyrrole is sourced from PubChem (CID 174255827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).