2-ethyl-2,3,5-trimethylpyrrole

C9H15N — CID 14638048

IUPAC2-ethyl-2,3,5-trimethylpyrrole
SMILESCCC1(C)N=C(C)C=C1C
InChIInChI=1S/C9H15N/c1-5-9(4)7(2)6-8(3)10-9/h6H,5H2,1-4H3
InChIKeyLONMCXQBHPNCCU-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.58
Rot. Bonds1

About 2-ethyl-2,3,5-trimethylpyrrole

2-ethyl-2,3,5-trimethylpyrrole (PubChem CID 14638048) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-ethyl-2,3,5-trimethylpyrrole.

Molecular Properties

Compound Name2-ethyl-2,3,5-trimethylpyrrole
PubChem CID14638048
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-ethyl-2,3,5-trimethylpyrrole
SMILESCCC1(C)N=C(C)C=C1C
InChIInChI=1S/C9H15N/c1-5-9(4)7(2)6-8(3)10-9/h6H,5H2,1-4H3
InChIKeyLONMCXQBHPNCCU-UHFFFAOYSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-Dihydro-2,2,4,6-tetramethylpyridine
CID 114026
2,2,3,5-tetramethyl-2H-pyrrole
CID 14342946
2-[(E)-but-2-enyl]-5-ethyl-2-methylpyrrole
CID 134890969
2-Ethyl-2,5-dimethylpyrrole
CID 53979597
2,4,6,6-tetramethyl-3H-pyridine
CID 57201223
2,2,4,5-Tetramethylpyrrole
CID 74888682
Carbanide;2,5-dimethyl-2-prop-2-enylpyrrole;iron(3+)
CID 87610367
Carbanide;2,5-dimethyl-2-prop-2-enylpyrrole;ruthenium(3+)
CID 87610755
(Z)-N,4,5-trimethylhept-3-en-2-imine
CID 123168461
N-[(E)-2,3-dimethylpent-3-en-2-yl]propan-2-imine
CID 130244672
5-(2-methylpent-1-en-3-yl)-2H-pyrrole
CID 134365672
(2S)-2-tert-butyl-2,3,5-trimethylpyrrole
CID 141878165

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3,5-trimethylpyrrole?
The IUPAC name of 2-ethyl-2,3,5-trimethylpyrrole (CID 14638048) is 2-ethyl-2,3,5-trimethylpyrrole.
What is the SMILES notation for 2-ethyl-2,3,5-trimethylpyrrole?
The canonical SMILES for 2-ethyl-2,3,5-trimethylpyrrole is CCC1(C)N=C(C)C=C1C.
What is the InChIKey of 2-ethyl-2,3,5-trimethylpyrrole?
The InChIKey is LONMCXQBHPNCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-5-9(4)7(2)6-8(3)10-9/h6H,5H2,1-4H3.
What are the key properties of 2-ethyl-2,3,5-trimethylpyrrole?
2-ethyl-2,3,5-trimethylpyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3,5-trimethylpyrrole is sourced from PubChem (CID 14638048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).