2-butan-2-yl-2-methylpyrrole

C9H15N — CID 91401674

IUPAC2-butan-2-yl-2-methylpyrrole
SMILESCCC(C)C1(C)C=CC=N1
InChIInChI=1S/C9H15N/c1-4-8(2)9(3)6-5-7-10-9/h5-8H,4H2,1-3H3
InChIKeyRARLVPJFLKCUOY-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.43
Rot. Bonds2

About 2-butan-2-yl-2-methylpyrrole

2-butan-2-yl-2-methylpyrrole (PubChem CID 91401674) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-butan-2-yl-2-methylpyrrole.

Molecular Properties

Compound Name2-butan-2-yl-2-methylpyrrole
PubChem CID91401674
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-butan-2-yl-2-methylpyrrole
SMILESCCC(C)C1(C)C=CC=N1
InChIInChI=1S/C9H15N/c1-4-8(2)9(3)6-5-7-10-9/h5-8H,4H2,1-3H3
InChIKeyRARLVPJFLKCUOY-UHFFFAOYSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-2-methylpyrrole?
The IUPAC name of 2-butan-2-yl-2-methylpyrrole (CID 91401674) is 2-butan-2-yl-2-methylpyrrole.
What is the SMILES notation for 2-butan-2-yl-2-methylpyrrole?
The canonical SMILES for 2-butan-2-yl-2-methylpyrrole is CCC(C)C1(C)C=CC=N1.
What is the InChIKey of 2-butan-2-yl-2-methylpyrrole?
The InChIKey is RARLVPJFLKCUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-4-8(2)9(3)6-5-7-10-9/h5-8H,4H2,1-3H3.
What are the key properties of 2-butan-2-yl-2-methylpyrrole?
2-butan-2-yl-2-methylpyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.43, 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-2-methylpyrrole is sourced from PubChem (CID 91401674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).