3-ethyl-2,4-dimethyl-5-propan-2-yl-2H-pyrrole

C11H19N — CID 91186555

IUPAC3-ethyl-2,4-dimethyl-5-propan-2-yl-2H-pyrrole
SMILESCCC1=C(C)C(C(C)C)=NC1C
InChIInChI=1S/C11H19N/c1-6-10-8(4)11(7(2)3)12-9(10)5/h7,9H,6H2,1-5H3
InChIKeyCMHACIBVVGFIJD-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.21
Rot. Bonds2

About 3-ethyl-2,4-dimethyl-5-propan-2-yl-2H-pyrrole

3-ethyl-2,4-dimethyl-5-propan-2-yl-2H-pyrrole (PubChem CID 91186555) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 3-ethyl-2,4-dimethyl-5-propan-2-yl-2H-pyrrole.

Molecular Properties

Compound Name3-ethyl-2,4-dimethyl-5-propan-2-yl-2H-pyrrole
PubChem CID91186555
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name3-ethyl-2,4-dimethyl-5-propan-2-yl-2H-pyrrole
SMILESCCC1=C(C)C(C(C)C)=NC1C
InChIInChI=1S/C11H19N/c1-6-10-8(4)11(7(2)3)12-9(10)5/h7,9H,6H2,1-5H3
InChIKeyCMHACIBVVGFIJD-UHFFFAOYSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-ethyl-5-fluoro-3-methyl-6-propan-2-yl-3,4-dihydro-2H-azepine
CID 123951611
2,3,6-trimethyl-N,5-di(propan-2-yl)hepta-2,5-dien-4-imine
CID 20647016
2,5-dimethyl-N,4-di(propan-2-yl)hex-4-en-3-imine
CID 20647017
4,5-di(propan-2-yl)-2H-pyrrole
CID 22891060
2,3,5-tri(propan-2-yl)-2H-pyrrole
CID 58164648
2,4,5-tri(propan-2-yl)-2H-pyrrole
CID 58164706
4-tert-butyl-3,5-dimethyl-2H-pyrrole
CID 58186510
4-methyl-5-propan-2-yl-2H-pyrrole
CID 58318552
4,5,6-Tri(propan-2-yl)-2,3-dihydropyridine
CID 58365477
4-methyl-2,5-di(propan-2-yl)-2H-pyrrole
CID 58402716
carbanide;meitnerium;2,3,4,5-tetramethyl-2H-pyrrole
CID 59085075
3,5-di(propan-2-yl)-2H-pyrrole
CID 59519975

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4-dimethyl-5-propan-2-yl-2H-pyrrole?
The IUPAC name of 3-ethyl-2,4-dimethyl-5-propan-2-yl-2H-pyrrole (CID 91186555) is 3-ethyl-2,4-dimethyl-5-propan-2-yl-2H-pyrrole.
What is the SMILES notation for 3-ethyl-2,4-dimethyl-5-propan-2-yl-2H-pyrrole?
The canonical SMILES for 3-ethyl-2,4-dimethyl-5-propan-2-yl-2H-pyrrole is CCC1=C(C)C(C(C)C)=NC1C.
What is the InChIKey of 3-ethyl-2,4-dimethyl-5-propan-2-yl-2H-pyrrole?
The InChIKey is CMHACIBVVGFIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-6-10-8(4)11(7(2)3)12-9(10)5/h7,9H,6H2,1-5H3.
What are the key properties of 3-ethyl-2,4-dimethyl-5-propan-2-yl-2H-pyrrole?
3-ethyl-2,4-dimethyl-5-propan-2-yl-2H-pyrrole has a molecular weight of 165.28 g/mol, XLogP of 3.21, 2 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-propan-2-yl-2H-pyrrole is sourced from PubChem (CID 91186555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).