2-tert-butyl-3-ethyl-2,3-dihydro-1H-pyrrole

C10H19N — CID 89140891

IUPAC2-tert-butyl-3-ethyl-2,3-dihydro-1H-pyrrole
SMILESCCC1C=CNC1C(C)(C)C
InChIInChI=1S/C10H19N/c1-5-8-6-7-11-9(8)10(2,3)4/h6-9,11H,5H2,1-4H3
InChIKeyGGPKUZJXMCEISU-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.54
Rot. Bonds1

About 2-tert-butyl-3-ethyl-2,3-dihydro-1H-pyrrole

2-tert-butyl-3-ethyl-2,3-dihydro-1H-pyrrole (PubChem CID 89140891) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2-tert-butyl-3-ethyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2-tert-butyl-3-ethyl-2,3-dihydro-1H-pyrrole
PubChem CID89140891
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2-tert-butyl-3-ethyl-2,3-dihydro-1H-pyrrole
SMILESCCC1C=CNC1C(C)(C)C
InChIInChI=1S/C10H19N/c1-5-8-6-7-11-9(8)10(2,3)4/h6-9,11H,5H2,1-4H3
InChIKeyGGPKUZJXMCEISU-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-ethyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 2-tert-butyl-3-ethyl-2,3-dihydro-1H-pyrrole (CID 89140891) is 2-tert-butyl-3-ethyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 2-tert-butyl-3-ethyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 2-tert-butyl-3-ethyl-2,3-dihydro-1H-pyrrole is CCC1C=CNC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-ethyl-2,3-dihydro-1H-pyrrole?
The InChIKey is GGPKUZJXMCEISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-5-8-6-7-11-9(8)10(2,3)4/h6-9,11H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-3-ethyl-2,3-dihydro-1H-pyrrole?
2-tert-butyl-3-ethyl-2,3-dihydro-1H-pyrrole has a molecular weight of 153.27 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-ethyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 89140891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).