2,3,4,5-tetramethyl-2H-pyrrole

C8H13N — CID 18508458

IUPAC2,3,4,5-tetramethyl-2H-pyrrole
SMILESCC1=NC(C)C(C)=C1C
InChIInChI=1S/C8H13N/c1-5-6(2)8(4)9-7(5)3/h7H,1-4H3
InChIKeyANYFIHYZLBPRMB-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.19
Rot. Bonds

About 2,3,4,5-tetramethyl-2H-pyrrole

2,3,4,5-tetramethyl-2H-pyrrole (PubChem CID 18508458) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2,3,4,5-tetramethyl-2H-pyrrole.

Molecular Properties

Compound Name2,3,4,5-tetramethyl-2H-pyrrole
PubChem CID18508458
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2,3,4,5-tetramethyl-2H-pyrrole
SMILESCC1=NC(C)C(C)=C1C
InChIInChI=1S/C8H13N/c1-5-6(2)8(4)9-7(5)3/h7H,1-4H3
InChIKeyANYFIHYZLBPRMB-UHFFFAOYSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,4,5-tetramethyl-2H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethyl-2H-pyrrole?
The IUPAC name of 2,3,4,5-tetramethyl-2H-pyrrole (CID 18508458) is 2,3,4,5-tetramethyl-2H-pyrrole.
What is the SMILES notation for 2,3,4,5-tetramethyl-2H-pyrrole?
The canonical SMILES for 2,3,4,5-tetramethyl-2H-pyrrole is CC1=NC(C)C(C)=C1C.
What is the InChIKey of 2,3,4,5-tetramethyl-2H-pyrrole?
The InChIKey is ANYFIHYZLBPRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-5-6(2)8(4)9-7(5)3/h7H,1-4H3.
What are the key properties of 2,3,4,5-tetramethyl-2H-pyrrole?
2,3,4,5-tetramethyl-2H-pyrrole has a molecular weight of 123.20 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethyl-2H-pyrrole is sourced from PubChem (CID 18508458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).