4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole

C14H21N — CID 118941248

IUPAC4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole
SMILESCC(C)(C)C1=C(C2CC2)CN=C1C1CC1
InChIInChI=1S/C14H21N/c1-14(2,3)12-11(9-4-5-9)8-15-13(12)10-6-7-10/h9-10H,4-8H2,1-3H3
InChIKeyPUOJUHDVTXRVML-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.60
Rot. Bonds2

About 4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole

4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole (PubChem CID 118941248) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole.

Molecular Properties

Compound Name4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole
PubChem CID118941248
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole
SMILESCC(C)(C)C1=C(C2CC2)CN=C1C1CC1
InChIInChI=1S/C14H21N/c1-14(2,3)12-11(9-4-5-9)8-15-13(12)10-6-7-10/h9-10H,4-8H2,1-3H3
InChIKeyPUOJUHDVTXRVML-UHFFFAOYSA-N
XLogP3.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole 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 4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole?
The IUPAC name of 4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole (CID 118941248) is 4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole.
What is the SMILES notation for 4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole?
The canonical SMILES for 4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole is CC(C)(C)C1=C(C2CC2)CN=C1C1CC1.
What is the InChIKey of 4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole?
The InChIKey is PUOJUHDVTXRVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-14(2,3)12-11(9-4-5-9)8-15-13(12)10-6-7-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole?
4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole has a molecular weight of 203.33 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,5-dicyclopropyl-2H-pyrrole is sourced from PubChem (CID 118941248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).