2,5-diethyl-3,4-dimethyl-1H-pyrrole

C10H17N — CID 14248772

IUPAC2,5-diethyl-3,4-dimethyl-1H-pyrrole
SMILESCCc1[nH]c(CC)c(C)c1C
InChIInChI=1S/C10H17N/c1-5-9-7(3)8(4)10(6-2)11-9/h11H,5-6H2,1-4H3
InChIKeyJXXLHBMYVFIMRF-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.76
Rot. Bonds2

About 2,5-diethyl-3,4-dimethyl-1H-pyrrole

2,5-diethyl-3,4-dimethyl-1H-pyrrole (PubChem CID 14248772) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2,5-diethyl-3,4-dimethyl-1H-pyrrole.

Molecular Properties

Compound Name2,5-diethyl-3,4-dimethyl-1H-pyrrole
PubChem CID14248772
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2,5-diethyl-3,4-dimethyl-1H-pyrrole
SMILESCCc1[nH]c(CC)c(C)c1C
InChIInChI=1S/C10H17N/c1-5-9-7(3)8(4)10(6-2)11-9/h11H,5-6H2,1-4H3
InChIKeyJXXLHBMYVFIMRF-UHFFFAOYSA-N
XLogP2.76
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1H-Pyrrole, 2,3,5-trimethyl-
CID 16620
2-Methyl-5-phenyl-1H-pyrrole
CID 200981
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
(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-3,5-dimethyl-pyrrole
CID 5708106
1H-Pyrrole, 3-ethyl-2,4,5-trimethyl-
CID 10628

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-3,4-dimethyl-1H-pyrrole?
The IUPAC name of 2,5-diethyl-3,4-dimethyl-1H-pyrrole (CID 14248772) is 2,5-diethyl-3,4-dimethyl-1H-pyrrole.
What is the SMILES notation for 2,5-diethyl-3,4-dimethyl-1H-pyrrole?
The canonical SMILES for 2,5-diethyl-3,4-dimethyl-1H-pyrrole is CCc1[nH]c(CC)c(C)c1C.
What is the InChIKey of 2,5-diethyl-3,4-dimethyl-1H-pyrrole?
The InChIKey is JXXLHBMYVFIMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-5-9-7(3)8(4)10(6-2)11-9/h11H,5-6H2,1-4H3.
What are the key properties of 2,5-diethyl-3,4-dimethyl-1H-pyrrole?
2,5-diethyl-3,4-dimethyl-1H-pyrrole has a molecular weight of 151.25 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-3,4-dimethyl-1H-pyrrole is sourced from PubChem (CID 14248772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).