3-methyl-5-(3-methylphenyl)-2H-pyrrole

C12H13N — CID 143763565

IUPAC3-methyl-5-(3-methylphenyl)-2H-pyrrole
SMILESCC1=CC(c2cccc(C)c2)=NC1
InChIInChI=1S/C12H13N/c1-9-4-3-5-11(6-9)12-7-10(2)8-13-12/h3-7H,8H2,1-2H3
InChIKeyIZIZQHQZVVDINT-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.74
Rot. Bonds1

About 3-methyl-5-(3-methylphenyl)-2H-pyrrole

3-methyl-5-(3-methylphenyl)-2H-pyrrole (PubChem CID 143763565) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-methyl-5-(3-methylphenyl)-2H-pyrrole.

Molecular Properties

Compound Name3-methyl-5-(3-methylphenyl)-2H-pyrrole
PubChem CID143763565
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name3-methyl-5-(3-methylphenyl)-2H-pyrrole
SMILESCC1=CC(c2cccc(C)c2)=NC1
InChIInChI=1S/C12H13N/c1-9-4-3-5-11(6-9)12-7-10(2)8-13-12/h3-7H,8H2,1-2H3
InChIKeyIZIZQHQZVVDINT-UHFFFAOYSA-N
XLogP2.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
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3-(3-methylphenyl)-5,6-dihydro-1,4,2-dioxazine
CID 20698390
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
ethane;1-methyl-3-phenylbenzene
CID 142040878
6-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116817431
ethane;methane;1-methyl-3-phenylbenzene
CID 144644852
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methylphenyl)-2H-pyrrole?
The IUPAC name of 3-methyl-5-(3-methylphenyl)-2H-pyrrole (CID 143763565) is 3-methyl-5-(3-methylphenyl)-2H-pyrrole.
What is the SMILES notation for 3-methyl-5-(3-methylphenyl)-2H-pyrrole?
The canonical SMILES for 3-methyl-5-(3-methylphenyl)-2H-pyrrole is CC1=CC(c2cccc(C)c2)=NC1.
What is the InChIKey of 3-methyl-5-(3-methylphenyl)-2H-pyrrole?
The InChIKey is IZIZQHQZVVDINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-9-4-3-5-11(6-9)12-7-10(2)8-13-12/h3-7H,8H2,1-2H3.
What are the key properties of 3-methyl-5-(3-methylphenyl)-2H-pyrrole?
3-methyl-5-(3-methylphenyl)-2H-pyrrole has a molecular weight of 171.24 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methylphenyl)-2H-pyrrole is sourced from PubChem (CID 143763565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).