3-ethyl-4-methyl-5-(2-methylpropyl)-3H-pyrrole

C11H19N — CID 59359592

IUPAC3-ethyl-4-methyl-5-(2-methylpropyl)-3H-pyrrole
SMILESCCC1C=NC(CC(C)C)=C1C
InChIInChI=1S/C11H19N/c1-5-10-7-12-11(9(10)4)6-8(2)3/h7-8,10H,5-6H2,1-4H3
InChIKeyOVSKOBCGFVIFOE-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.42
Rot. Bonds3

About 3-ethyl-4-methyl-5-(2-methylpropyl)-3H-pyrrole

3-ethyl-4-methyl-5-(2-methylpropyl)-3H-pyrrole (PubChem CID 59359592) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 3-ethyl-4-methyl-5-(2-methylpropyl)-3H-pyrrole.

Molecular Properties

Compound Name3-ethyl-4-methyl-5-(2-methylpropyl)-3H-pyrrole
PubChem CID59359592
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name3-ethyl-4-methyl-5-(2-methylpropyl)-3H-pyrrole
SMILESCCC1C=NC(CC(C)C)=C1C
InChIInChI=1S/C11H19N/c1-5-10-7-12-11(9(10)4)6-8(2)3/h7-8,10H,5-6H2,1-4H3
InChIKeyOVSKOBCGFVIFOE-UHFFFAOYSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-5-(2-methylpropyl)-3H-pyrrole?
The IUPAC name of 3-ethyl-4-methyl-5-(2-methylpropyl)-3H-pyrrole (CID 59359592) is 3-ethyl-4-methyl-5-(2-methylpropyl)-3H-pyrrole.
What is the SMILES notation for 3-ethyl-4-methyl-5-(2-methylpropyl)-3H-pyrrole?
The canonical SMILES for 3-ethyl-4-methyl-5-(2-methylpropyl)-3H-pyrrole is CCC1C=NC(CC(C)C)=C1C.
What is the InChIKey of 3-ethyl-4-methyl-5-(2-methylpropyl)-3H-pyrrole?
The InChIKey is OVSKOBCGFVIFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-5-10-7-12-11(9(10)4)6-8(2)3/h7-8,10H,5-6H2,1-4H3.
What are the key properties of 3-ethyl-4-methyl-5-(2-methylpropyl)-3H-pyrrole?
3-ethyl-4-methyl-5-(2-methylpropyl)-3H-pyrrole has a molecular weight of 165.28 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-5-(2-methylpropyl)-3H-pyrrole is sourced from PubChem (CID 59359592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).