1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole

C13H17N — CID 58067879

IUPAC1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole
SMILESCc1cc(C)c(N2C=CCC2)c(C)c1
InChIInChI=1S/C13H17N/c1-10-8-11(2)13(12(3)9-10)14-6-4-5-7-14/h4,6,8-9H,5,7H2,1-3H3
InChIKeyLTOYBHFMFUKQAQ-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.34
Rot. Bonds1

About 1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole

1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole (PubChem CID 58067879) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole
PubChem CID58067879
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole
SMILESCc1cc(C)c(N2C=CCC2)c(C)c1
InChIInChI=1S/C13H17N/c1-10-8-11(2)13(12(3)9-10)14-6-4-5-7-14/h4,6,8-9H,5,7H2,1-3H3
InChIKeyLTOYBHFMFUKQAQ-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole?
The IUPAC name of 1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole (CID 58067879) is 1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole.
What is the SMILES notation for 1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole?
The canonical SMILES for 1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole is Cc1cc(C)c(N2C=CCC2)c(C)c1.
What is the InChIKey of 1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole?
The InChIKey is LTOYBHFMFUKQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-10-8-11(2)13(12(3)9-10)14-6-4-5-7-14/h4,6,8-9H,5,7H2,1-3H3.
What are the key properties of 1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole?
1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole has a molecular weight of 187.29 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole is sourced from PubChem (CID 58067879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).