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

C7H11N — CID 16620

IUPAC2,3,5-trimethyl-1H-pyrrole
SMILESCc1cc(C)c(C)[nH]1
InChIInChI=1S/C7H11N/c1-5-4-6(2)8-7(5)3/h4,8H,1-3H3
InChIKeyVIDOWPWTFHJVID-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.94
Rot. Bonds

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

2,3,5-trimethyl-1H-pyrrole (PubChem CID 16620) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2,3,5-trimethyl-1H-pyrrole.

Molecular Properties

Compound Name2,3,5-trimethyl-1H-pyrrole
PubChem CID16620
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2,3,5-trimethyl-1H-pyrrole
SMILESCc1cc(C)c(C)[nH]1
InChIInChI=1S/C7H11N/c1-5-4-6(2)8-7(5)3/h4,8H,1-3H3
InChIKeyVIDOWPWTFHJVID-UHFFFAOYSA-N
XLogP1.94
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2,5-Dimethylpyrrole
CID 12265
2-Methylindole
CID 7224
2,4-Dimethylpyrrole
CID 39539
2,5-Diphenyl-1H-pyrrole
CID 244877
2-Methyl-5-phenyl-1H-pyrrole
CID 200981
2,3-Dimethyl-1H-pyrrole
CID 39538
5-Methyl-1H-pyrrole-2-carbonitrile
CID 570605
2-Methyl-3-amylpyrrole
CID 3082128
2,3,4,5-Tetramethylpyrrole
CID 70484
1H-Pyrrole, 3-ethyl-2,5-dimethyl-
CID 522355
2-Phenyl-4,5,6,7-tetrahydro-1H-indole
CID 4182798
2-methyl-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile
CID 15314672

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-1H-pyrrole?
The IUPAC name of 2,3,5-trimethyl-1H-pyrrole (CID 16620) is 2,3,5-trimethyl-1H-pyrrole.
What is the SMILES notation for 2,3,5-trimethyl-1H-pyrrole?
The canonical SMILES for 2,3,5-trimethyl-1H-pyrrole is Cc1cc(C)c(C)[nH]1.
What is the InChIKey of 2,3,5-trimethyl-1H-pyrrole?
The InChIKey is VIDOWPWTFHJVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-5-4-6(2)8-7(5)3/h4,8H,1-3H3.
What are the key properties of 2,3,5-trimethyl-1H-pyrrole?
2,3,5-trimethyl-1H-pyrrole has a molecular weight of 109.17 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-1H-pyrrole is sourced from PubChem (CID 16620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).