1-(4-tert-butylphenyl)-2,3-dihydropyrrole

C14H19N — CID 157298735

IUPAC1-(4-tert-butylphenyl)-2,3-dihydropyrrole
SMILESCC(C)(C)c1ccc(N2C=CCC2)cc1
InChIInChI=1S/C14H19N/c1-14(2,3)12-6-8-13(9-7-12)15-10-4-5-11-15/h4,6-10H,5,11H2,1-3H3
InChIKeyLRJQCSQJRKFCNN-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.71
Rot. Bonds1

About 1-(4-tert-butylphenyl)-2,3-dihydropyrrole

1-(4-tert-butylphenyl)-2,3-dihydropyrrole (PubChem CID 157298735) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2,3-dihydropyrrole
PubChem CID157298735
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-(4-tert-butylphenyl)-2,3-dihydropyrrole
SMILESCC(C)(C)c1ccc(N2C=CCC2)cc1
InChIInChI=1S/C14H19N/c1-14(2,3)12-6-8-13(9-7-12)15-10-4-5-11-15/h4,6-10H,5,11H2,1-3H3
InChIKeyLRJQCSQJRKFCNN-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2,3-dihydropyrrole?
The IUPAC name of 1-(4-tert-butylphenyl)-2,3-dihydropyrrole (CID 157298735) is 1-(4-tert-butylphenyl)-2,3-dihydropyrrole.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2,3-dihydropyrrole?
The canonical SMILES for 1-(4-tert-butylphenyl)-2,3-dihydropyrrole is CC(C)(C)c1ccc(N2C=CCC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2,3-dihydropyrrole?
The InChIKey is LRJQCSQJRKFCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-14(2,3)12-6-8-13(9-7-12)15-10-4-5-11-15/h4,6-10H,5,11H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-2,3-dihydropyrrole?
1-(4-tert-butylphenyl)-2,3-dihydropyrrole has a molecular weight of 201.31 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2,3-dihydropyrrole is sourced from PubChem (CID 157298735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).