1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole

C13H17N — CID 171371589

IUPAC1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole
SMILESCc1cc(C)c(N2CC=CC2)c(C)c1
InChIInChI=1S/C13H17N/c1-10-8-11(2)13(12(3)9-10)14-6-4-5-7-14/h4-5,8-9H,6-7H2,1-3H3
InChIKeySYWQDDLZPPMBIE-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.99
Rot. Bonds1

About 1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole

1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole (PubChem CID 171371589) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole
PubChem CID171371589
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole
SMILESCc1cc(C)c(N2CC=CC2)c(C)c1
InChIInChI=1S/C13H17N/c1-10-8-11(2)13(12(3)9-10)14-6-4-5-7-14/h4-5,8-9H,6-7H2,1-3H3
InChIKeySYWQDDLZPPMBIE-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole?
The IUPAC name of 1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole (CID 171371589) is 1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole.
What is the SMILES notation for 1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole?
The canonical SMILES for 1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole is Cc1cc(C)c(N2CC=CC2)c(C)c1.
What is the InChIKey of 1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole?
The InChIKey is SYWQDDLZPPMBIE-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/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole?
1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole has a molecular weight of 187.29 g/mol, XLogP of 2.99, 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)-2,5-dihydropyrrole is sourced from PubChem (CID 171371589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).