1H-pyrrole;1,3,5-trimethylbenzene

C13H17N — CID 175046284

IUPAC1H-pyrrole;1,3,5-trimethylbenzene
SMILESCc1cc(C)cc(C)c1.c1cc[nH]c1
InChIInChI=1S/C9H12.C4H5N/c1-7-4-8(2)6-9(3)5-7;1-2-4-5-3-1/h4-6H,1-3H3;1-5H
InChIKeyQHKSIROGIYPSPE-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.63
Rot. Bonds

About 1H-pyrrole;1,3,5-trimethylbenzene

1H-pyrrole;1,3,5-trimethylbenzene (PubChem CID 175046284) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1H-pyrrole;1,3,5-trimethylbenzene.

Molecular Properties

Compound Name1H-pyrrole;1,3,5-trimethylbenzene
PubChem CID175046284
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1H-pyrrole;1,3,5-trimethylbenzene
SMILESCc1cc(C)cc(C)c1.c1cc[nH]c1
InChIInChI=1S/C9H12.C4H5N/c1-7-4-8(2)6-9(3)5-7;1-2-4-5-3-1/h4-6H,1-3H3;1-5H
InChIKeyQHKSIROGIYPSPE-UHFFFAOYSA-N
XLogP3.63
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 1H-pyrrole;1,3,5-trimethylbenzene 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 1H-pyrrole;1,3,5-trimethylbenzene?
The IUPAC name of 1H-pyrrole;1,3,5-trimethylbenzene (CID 175046284) is 1H-pyrrole;1,3,5-trimethylbenzene.
What is the SMILES notation for 1H-pyrrole;1,3,5-trimethylbenzene?
The canonical SMILES for 1H-pyrrole;1,3,5-trimethylbenzene is Cc1cc(C)cc(C)c1.c1cc[nH]c1.
What is the InChIKey of 1H-pyrrole;1,3,5-trimethylbenzene?
The InChIKey is QHKSIROGIYPSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C4H5N/c1-7-4-8(2)6-9(3)5-7;1-2-4-5-3-1/h4-6H,1-3H3;1-5H.
What are the key properties of 1H-pyrrole;1,3,5-trimethylbenzene?
1H-pyrrole;1,3,5-trimethylbenzene has a molecular weight of 187.29 g/mol, XLogP of 3.63, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrole;1,3,5-trimethylbenzene is sourced from PubChem (CID 175046284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).