4-ethyl-2,3,5-trimethyl-3H-pyrrole

C9H15N — CID 21054911

IUPAC4-ethyl-2,3,5-trimethyl-3H-pyrrole
SMILESCCC1=C(C)N=C(C)C1C
InChIInChI=1S/C9H15N/c1-5-9-6(2)7(3)10-8(9)4/h6H,5H2,1-4H3
InChIKeyQCTGSWCZVZNMGT-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.78
Rot. Bonds1

About 4-ethyl-2,3,5-trimethyl-3H-pyrrole

4-ethyl-2,3,5-trimethyl-3H-pyrrole (PubChem CID 21054911) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 4-ethyl-2,3,5-trimethyl-3H-pyrrole.

Molecular Properties

Compound Name4-ethyl-2,3,5-trimethyl-3H-pyrrole
PubChem CID21054911
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name4-ethyl-2,3,5-trimethyl-3H-pyrrole
SMILESCCC1=C(C)N=C(C)C1C
InChIInChI=1S/C9H15N/c1-5-9-6(2)7(3)10-8(9)4/h6H,5H2,1-4H3
InChIKeyQCTGSWCZVZNMGT-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,3,4,5-Pentamethylpyrrole
CID 301930
2,4,5-trimethyl-3H-pyrrole
CID 9793719
1,2,3,4,5-pentamethyl-3H-pyrrol-1-ium
CID 20667180
4-ethyl-2,5-dimethyl-3H-pyrrole
CID 20765952
2-tert-butyl-4,5-dimethyl-3H-pyrrole
CID 21050596
3-Ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole
CID 23518376
2,3,4,5-tetramethyl-3H-pyrrole
CID 53757448
3,4,5,6-Tetramethyl-2-propan-2-yl-3,4-dihydropyridine
CID 57757693
2-methyl-4,5-di(propan-2-yl)-3H-pyrrole
CID 58201783
5-Methyl-2-propan-2-yl-3,4-dihydropyrrol-4-ide;ruthenium(1+)
CID 58746478
4,5-dimethyl-2-propan-2-yl-3H-pyrrole
CID 58746494
3,3,4,4-Tetramethyl-2-propan-2-yl-5-propan-2-ylidenepyrrole
CID 58795703

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3,5-trimethyl-3H-pyrrole?
The IUPAC name of 4-ethyl-2,3,5-trimethyl-3H-pyrrole (CID 21054911) is 4-ethyl-2,3,5-trimethyl-3H-pyrrole.
What is the SMILES notation for 4-ethyl-2,3,5-trimethyl-3H-pyrrole?
The canonical SMILES for 4-ethyl-2,3,5-trimethyl-3H-pyrrole is CCC1=C(C)N=C(C)C1C.
What is the InChIKey of 4-ethyl-2,3,5-trimethyl-3H-pyrrole?
The InChIKey is QCTGSWCZVZNMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-5-9-6(2)7(3)10-8(9)4/h6H,5H2,1-4H3.
What are the key properties of 4-ethyl-2,3,5-trimethyl-3H-pyrrole?
4-ethyl-2,3,5-trimethyl-3H-pyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3,5-trimethyl-3H-pyrrole is sourced from PubChem (CID 21054911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).