3-butan-2-yl-2,2-dimethylpyrrole

C10H17N — CID 90014489

IUPAC3-butan-2-yl-2,2-dimethylpyrrole
SMILESCCC(C)C1=CC=NC1(C)C
InChIInChI=1S/C10H17N/c1-5-8(2)9-6-7-11-10(9,3)4/h6-8H,5H2,1-4H3
InChIKeyBJYQZQYGADJIQC-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.82
Rot. Bonds2

About 3-butan-2-yl-2,2-dimethylpyrrole

3-butan-2-yl-2,2-dimethylpyrrole (PubChem CID 90014489) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-butan-2-yl-2,2-dimethylpyrrole.

Molecular Properties

Compound Name3-butan-2-yl-2,2-dimethylpyrrole
PubChem CID90014489
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-butan-2-yl-2,2-dimethylpyrrole
SMILESCCC(C)C1=CC=NC1(C)C
InChIInChI=1S/C10H17N/c1-5-8(2)9-6-7-11-10(9,3)4/h6-8H,5H2,1-4H3
InChIKeyBJYQZQYGADJIQC-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2,2-dimethylpyrrole?
The IUPAC name of 3-butan-2-yl-2,2-dimethylpyrrole (CID 90014489) is 3-butan-2-yl-2,2-dimethylpyrrole.
What is the SMILES notation for 3-butan-2-yl-2,2-dimethylpyrrole?
The canonical SMILES for 3-butan-2-yl-2,2-dimethylpyrrole is CCC(C)C1=CC=NC1(C)C.
What is the InChIKey of 3-butan-2-yl-2,2-dimethylpyrrole?
The InChIKey is BJYQZQYGADJIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-5-8(2)9-6-7-11-10(9,3)4/h6-8H,5H2,1-4H3.
What are the key properties of 3-butan-2-yl-2,2-dimethylpyrrole?
3-butan-2-yl-2,2-dimethylpyrrole has a molecular weight of 151.25 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2,2-dimethylpyrrole is sourced from PubChem (CID 90014489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).