5-tert-butyl-2-ethyl-4-propan-2-yl-2H-pyrrole

C13H23N — CID 123213753

IUPAC5-tert-butyl-2-ethyl-4-propan-2-yl-2H-pyrrole
SMILESCCC1C=C(C(C)C)C(C(C)(C)C)=N1
InChIInChI=1S/C13H23N/c1-7-10-8-11(9(2)3)12(14-10)13(4,5)6/h8-10H,7H2,1-6H3
InChIKeyKDURYJMXLKIZRW-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.85
Rot. Bonds2

About 5-tert-butyl-2-ethyl-4-propan-2-yl-2H-pyrrole

5-tert-butyl-2-ethyl-4-propan-2-yl-2H-pyrrole (PubChem CID 123213753) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyl-4-propan-2-yl-2H-pyrrole.

Molecular Properties

Compound Name5-tert-butyl-2-ethyl-4-propan-2-yl-2H-pyrrole
PubChem CID123213753
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name5-tert-butyl-2-ethyl-4-propan-2-yl-2H-pyrrole
SMILESCCC1C=C(C(C)C)C(C(C)(C)C)=N1
InChIInChI=1S/C13H23N/c1-7-10-8-11(9(2)3)12(14-10)13(4,5)6/h8-10H,7H2,1-6H3
InChIKeyKDURYJMXLKIZRW-UHFFFAOYSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-5-(2-fluoropropan-2-yl)-2H-pyrrole
CID 154987793
3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
CID 70516911
2,5-ditert-butyl-2H-pyrrole
CID 22374998
4,5-di(propan-2-yl)-2H-pyrrole
CID 22891060
5-methyl-3-(2,3,3-trimethylbutyl)-2H-pyrrole
CID 58051750
5-tert-butyl-3-methyl-2H-pyrrole
CID 58093880
5-tert-butyl-4-methyl-2H-pyrrole
CID 58099547
3,5-ditert-butyl-2H-pyrrole
CID 58139020
2,3,5-tri(propan-2-yl)-2H-pyrrole
CID 58164648
2,4,5-tri(propan-2-yl)-2H-pyrrole
CID 58164706
4-tert-butyl-5-methyl-2H-pyrrole
CID 58263540
4-tert-butyl-5-ethenyl-2H-pyrrole
CID 58263748

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethyl-4-propan-2-yl-2H-pyrrole?
The IUPAC name of 5-tert-butyl-2-ethyl-4-propan-2-yl-2H-pyrrole (CID 123213753) is 5-tert-butyl-2-ethyl-4-propan-2-yl-2H-pyrrole.
What is the SMILES notation for 5-tert-butyl-2-ethyl-4-propan-2-yl-2H-pyrrole?
The canonical SMILES for 5-tert-butyl-2-ethyl-4-propan-2-yl-2H-pyrrole is CCC1C=C(C(C)C)C(C(C)(C)C)=N1.
What is the InChIKey of 5-tert-butyl-2-ethyl-4-propan-2-yl-2H-pyrrole?
The InChIKey is KDURYJMXLKIZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-7-10-8-11(9(2)3)12(14-10)13(4,5)6/h8-10H,7H2,1-6H3.
What are the key properties of 5-tert-butyl-2-ethyl-4-propan-2-yl-2H-pyrrole?
5-tert-butyl-2-ethyl-4-propan-2-yl-2H-pyrrole has a molecular weight of 193.33 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethyl-4-propan-2-yl-2H-pyrrole is sourced from PubChem (CID 123213753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).