2-tert-butyl-3,4-dihydro-2H-pyrrole

C8H15N — CID 59151481

IUPAC2-tert-butyl-3,4-dihydro-2H-pyrrole
SMILESCC(C)(C)C1CCC=N1
InChIInChI=1S/C8H15N/c1-8(2,3)7-5-4-6-9-7/h6-7H,4-5H2,1-3H3
InChIKeyOGPCJTWLYDQHKY-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.27
Rot. Bonds

About 2-tert-butyl-3,4-dihydro-2H-pyrrole

2-tert-butyl-3,4-dihydro-2H-pyrrole (PubChem CID 59151481) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 2-tert-butyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-tert-butyl-3,4-dihydro-2H-pyrrole
PubChem CID59151481
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name2-tert-butyl-3,4-dihydro-2H-pyrrole
SMILESCC(C)(C)C1CCC=N1
InChIInChI=1S/C8H15N/c1-8(2,3)7-5-4-6-9-7/h6-7H,4-5H2,1-3H3
InChIKeyOGPCJTWLYDQHKY-UHFFFAOYSA-N
XLogP2.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-3,4-dihydro-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 2-tert-butyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-tert-butyl-3,4-dihydro-2H-pyrrole (CID 59151481) is 2-tert-butyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-tert-butyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-tert-butyl-3,4-dihydro-2H-pyrrole is CC(C)(C)C1CCC=N1.
What is the InChIKey of 2-tert-butyl-3,4-dihydro-2H-pyrrole?
The InChIKey is OGPCJTWLYDQHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-8(2,3)7-5-4-6-9-7/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-tert-butyl-3,4-dihydro-2H-pyrrole?
2-tert-butyl-3,4-dihydro-2H-pyrrole has a molecular weight of 125.21 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 59151481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).