2-butan-2-yl-5-methyl-1H-pyrrole

C9H15N — CID 91215155

IUPAC2-butan-2-yl-5-methyl-1H-pyrrole
SMILESCCC(C)c1ccc(C)[nH]1
InChIInChI=1S/C9H15N/c1-4-7(2)9-6-5-8(3)10-9/h5-7,10H,4H2,1-3H3
InChIKeyDIWPZTSUJGEXLI-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.84
Rot. Bonds2

About 2-butan-2-yl-5-methyl-1H-pyrrole

2-butan-2-yl-5-methyl-1H-pyrrole (PubChem CID 91215155) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-butan-2-yl-5-methyl-1H-pyrrole.

Molecular Properties

Compound Name2-butan-2-yl-5-methyl-1H-pyrrole
PubChem CID91215155
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-butan-2-yl-5-methyl-1H-pyrrole
SMILESCCC(C)c1ccc(C)[nH]1
InChIInChI=1S/C9H15N/c1-4-7(2)9-6-5-8(3)10-9/h5-7,10H,4H2,1-3H3
InChIKeyDIWPZTSUJGEXLI-UHFFFAOYSA-N
XLogP2.84
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-methyl-1H-pyrrole?
The IUPAC name of 2-butan-2-yl-5-methyl-1H-pyrrole (CID 91215155) is 2-butan-2-yl-5-methyl-1H-pyrrole.
What is the SMILES notation for 2-butan-2-yl-5-methyl-1H-pyrrole?
The canonical SMILES for 2-butan-2-yl-5-methyl-1H-pyrrole is CCC(C)c1ccc(C)[nH]1.
What is the InChIKey of 2-butan-2-yl-5-methyl-1H-pyrrole?
The InChIKey is DIWPZTSUJGEXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-4-7(2)9-6-5-8(3)10-9/h5-7,10H,4H2,1-3H3.
What are the key properties of 2-butan-2-yl-5-methyl-1H-pyrrole?
2-butan-2-yl-5-methyl-1H-pyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-methyl-1H-pyrrole is sourced from PubChem (CID 91215155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).