2-butan-2-yl-2H-pyrrole

C8H13N — CID 142235669

IUPAC2-butan-2-yl-2H-pyrrole
SMILESCCC(C)C1C=CC=N1
InChIInChI=1S/C8H13N/c1-3-7(2)8-5-4-6-9-8/h4-8H,3H2,1-2H3
InChIKeyNTKDURBFKOTXCG-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.04
Rot. Bonds2

About 2-butan-2-yl-2H-pyrrole

2-butan-2-yl-2H-pyrrole (PubChem CID 142235669) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-butan-2-yl-2H-pyrrole.

Molecular Properties

Compound Name2-butan-2-yl-2H-pyrrole
PubChem CID142235669
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-butan-2-yl-2H-pyrrole
SMILESCCC(C)C1C=CC=N1
InChIInChI=1S/C8H13N/c1-3-7(2)8-5-4-6-9-8/h4-8H,3H2,1-2H3
InChIKeyNTKDURBFKOTXCG-UHFFFAOYSA-N
XLogP2.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-Diethyl-2,3-dihydropyridine
CID 53814937
2-Azabicyclo[3.2.0]hepta-2,6-diene
CID 15130600
7,7a-dihydro-4aH-cyclopenta[b]pyridine
CID 20067303
2,3,4-Trimethyl-2,3-dihydropyridine
CID 53836102
2-But-2-enyl-2-ethylpyrrole
CID 57004955
2-Methyl-2-propylpyrrole
CID 57216634
2-But-2-ynyl-2-ethylpyrrole
CID 57292671
2-Propan-2-yl-2,5-dihydropyridine
CID 57314007
3a,7a-dihydro-3H-indole
CID 57316999
3-(2H-pyrrol-2-yl)butane-1-thiol
CID 57323236
5,7a-dihydro-4aH-cyclopenta[b]pyridine
CID 58270246
5-methyl-2-propan-2-yl-2H-pyrrole
CID 59151241

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-2H-pyrrole?
The IUPAC name of 2-butan-2-yl-2H-pyrrole (CID 142235669) is 2-butan-2-yl-2H-pyrrole.
What is the SMILES notation for 2-butan-2-yl-2H-pyrrole?
The canonical SMILES for 2-butan-2-yl-2H-pyrrole is CCC(C)C1C=CC=N1.
What is the InChIKey of 2-butan-2-yl-2H-pyrrole?
The InChIKey is NTKDURBFKOTXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-3-7(2)8-5-4-6-9-8/h4-8H,3H2,1-2H3.
What are the key properties of 2-butan-2-yl-2H-pyrrole?
2-butan-2-yl-2H-pyrrole has a molecular weight of 123.20 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-2H-pyrrole is sourced from PubChem (CID 142235669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).