3-ethyl-2,4,5-trimethyl-1H-pyrrole

C9H15N — CID 10628

IUPAC3-ethyl-2,4,5-trimethyl-1H-pyrrole
SMILESCCc1c(C)[nH]c(C)c1C
InChIInChI=1S/C9H15N/c1-5-9-6(2)7(3)10-8(9)4/h10H,5H2,1-4H3
InChIKeyYEYMBKUFPKCVKT-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.50
Rot. Bonds1

About 3-ethyl-2,4,5-trimethyl-1H-pyrrole

3-ethyl-2,4,5-trimethyl-1H-pyrrole (PubChem CID 10628) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3-ethyl-2,4,5-trimethyl-1H-pyrrole.

Molecular Properties

Compound Name3-ethyl-2,4,5-trimethyl-1H-pyrrole
PubChem CID10628
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3-ethyl-2,4,5-trimethyl-1H-pyrrole
SMILESCCc1c(C)[nH]c(C)c1C
InChIInChI=1S/C9H15N/c1-5-9-6(2)7(3)10-8(9)4/h10H,5H2,1-4H3
InChIKeyYEYMBKUFPKCVKT-UHFFFAOYSA-N
XLogP2.50
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-Dimethyl-3-ethylpyrrole
CID 10600
1H-Pyrrole, 2,3,5-trimethyl-
CID 16620
2,3,4-Trimethyl-1H-pyrrole
CID 572717
N-((4-((dimethylamino)methyl)-2,5-dimethyl-1H-pyrrol-3-yl)methyl)-N,N-dimethylamine
CID 229022
2,3,4,5-Tetramethylpyrrole
CID 70484
1H-Pyrrole, 3-ethyl-2,5-dimethyl-
CID 522355
3,3',4,4',5,5'-Hexamethyl-2,2'-dipyrrolylmethene
CID 15857952
1H-Pyrrole, 3-ethyl-5-[(4-ethyl-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]-2,4-dimethyl-
CID 685994
1,2,3,4,5-pentamethyl-1H-pyrrole
CID 69847
2,3,5-Tris(1,1-dimethylethyl)-1H-pyrrole
CID 12722275
(2Z)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrobromide
CID 11537356
3,5-dimethyl-1H-pyrrole-2-carbonitrile
CID 2763165

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4,5-trimethyl-1H-pyrrole?
The IUPAC name of 3-ethyl-2,4,5-trimethyl-1H-pyrrole (CID 10628) is 3-ethyl-2,4,5-trimethyl-1H-pyrrole.
What is the SMILES notation for 3-ethyl-2,4,5-trimethyl-1H-pyrrole?
The canonical SMILES for 3-ethyl-2,4,5-trimethyl-1H-pyrrole is CCc1c(C)[nH]c(C)c1C.
What is the InChIKey of 3-ethyl-2,4,5-trimethyl-1H-pyrrole?
The InChIKey is YEYMBKUFPKCVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-5-9-6(2)7(3)10-8(9)4/h10H,5H2,1-4H3.
What are the key properties of 3-ethyl-2,4,5-trimethyl-1H-pyrrole?
3-ethyl-2,4,5-trimethyl-1H-pyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4,5-trimethyl-1H-pyrrole is sourced from PubChem (CID 10628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).