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

C7H11N — CID 23422218

IUPAC2,3,4-trimethyl-2H-pyrrole
SMILESCC1C(=C(C=N1)C)C
InChIInChI=1S/C7H11N/c1-5-4-8-7(3)6(5)2/h4,7H,1-3H3
InChIKeyXMLRPOQAUYSDCS-UHFFFAOYSA-N
MW109.17 g/mol
LogP0.60
Rot. Bonds

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

2,3,4-trimethyl-2H-pyrrole (PubChem CID 23422218) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2,3,4-trimethyl-2H-pyrrole.

Molecular Properties

Compound Name2,3,4-trimethyl-2H-pyrrole
PubChem CID23422218
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2,3,4-trimethyl-2H-pyrrole
SMILESCC1C(=C(C=N1)C)C
InChIInChI=1S/C7H11N/c1-5-4-8-7(3)6(5)2/h4,7H,1-3H3
InChIKeyXMLRPOQAUYSDCS-UHFFFAOYSA-N
XLogP0.60
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity154

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-2H-pyrrole?
The IUPAC name of 2,3,4-trimethyl-2H-pyrrole (CID 23422218) is 2,3,4-trimethyl-2H-pyrrole.
What is the SMILES notation for 2,3,4-trimethyl-2H-pyrrole?
The canonical SMILES for 2,3,4-trimethyl-2H-pyrrole is CC1C(=C(C=N1)C)C.
What is the InChIKey of 2,3,4-trimethyl-2H-pyrrole?
The InChIKey is XMLRPOQAUYSDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-5-4-8-7(3)6(5)2/h4,7H,1-3H3.
What are the key properties of 2,3,4-trimethyl-2H-pyrrole?
2,3,4-trimethyl-2H-pyrrole has a molecular weight of 109.17 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-2H-pyrrole is sourced from PubChem (CID 23422218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).