3-(2,2-dimethylpropyl)-2H-pyrrole

C9H15N — CID 58234721

IUPAC3-(2,2-dimethylpropyl)-2H-pyrrole
SMILESCC(C)(C)CC1=CC=NC1
InChIInChI=1S/C9H15N/c1-9(2,3)6-8-4-5-10-7-8/h4-5H,6-7H2,1-3H3
InChIKeyZSFLYPJLGUXNKV-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.43
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-2H-pyrrole

3-(2,2-dimethylpropyl)-2H-pyrrole (PubChem CID 58234721) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-2H-pyrrole.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-2H-pyrrole
PubChem CID58234721
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3-(2,2-dimethylpropyl)-2H-pyrrole
SMILESCC(C)(C)CC1=CC=NC1
InChIInChI=1S/C9H15N/c1-9(2,3)6-8-4-5-10-7-8/h4-5H,6-7H2,1-3H3
InChIKeyZSFLYPJLGUXNKV-UHFFFAOYSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(2,2-dimethylpropyl)-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

Related Compounds

4-ethyl-3,3-dimethyl-2H-pyridine
CID 21561178
2-Methyl-2-propylpyrrole
CID 57216634
4-tert-butyl-3-(2-methylpropyl)-2H-pyrrole
CID 58477488
3-tert-butyl-2H-pyrrole
CID 59553920
4-Tert-butyl-2,3-dihydropyridine
CID 59813250
4-Tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium)
CID 59860018
4-(2,2-dimethylpropyl)-2H-pyrrole
CID 89113097
4-Propan-2-yl-2,3-dihydropyridine
CID 90868879
4-(2-methylpropyl)-2H-pyrrole
CID 117619853
(E)-N,3,5,5-tetramethylhex-2-en-1-imine
CID 122594331
5-ethyl-3-methyl-3,4-dihydro-2H-azepine
CID 123177987
4,4-dimethyl-3,5-dihydro-2H-azocine
CID 123570067

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-2H-pyrrole?
The IUPAC name of 3-(2,2-dimethylpropyl)-2H-pyrrole (CID 58234721) is 3-(2,2-dimethylpropyl)-2H-pyrrole.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-2H-pyrrole?
The canonical SMILES for 3-(2,2-dimethylpropyl)-2H-pyrrole is CC(C)(C)CC1=CC=NC1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-2H-pyrrole?
The InChIKey is ZSFLYPJLGUXNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-9(2,3)6-8-4-5-10-7-8/h4-5H,6-7H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)-2H-pyrrole?
3-(2,2-dimethylpropyl)-2H-pyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-2H-pyrrole is sourced from PubChem (CID 58234721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).