1-bromo-2-propan-2-ylpyrrole

C7H10BrN — CID 175319906

IUPAC1-bromo-2-propan-2-ylpyrrole
SMILESCC(C)c1cccn1Br
InChIInChI=1S/C7H10BrN/c1-6(2)7-4-3-5-9(7)8/h3-6H,1-2H3
InChIKeyNNIGWGWOZGUAML-UHFFFAOYSA-N
MW188.07 g/mol
LogP2.77
Rot. Bonds1

About 1-bromo-2-propan-2-ylpyrrole

1-bromo-2-propan-2-ylpyrrole (PubChem CID 175319906) has the molecular formula C7H10BrN and a molecular weight of 188.07 g/mol. Its IUPAC name is 1-bromo-2-propan-2-ylpyrrole.

Molecular Properties

Compound Name1-bromo-2-propan-2-ylpyrrole
PubChem CID175319906
Molecular FormulaC7H10BrN
Molecular Weight188.07 g/mol
Exact Mass187.00
IUPAC Name1-bromo-2-propan-2-ylpyrrole
SMILESCC(C)c1cccn1Br
InChIInChI=1S/C7H10BrN/c1-6(2)7-4-3-5-9(7)8/h3-6H,1-2H3
InChIKeyNNIGWGWOZGUAML-UHFFFAOYSA-N
XLogP2.77
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.07
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-propan-2-ylpyrrole?
The IUPAC name of 1-bromo-2-propan-2-ylpyrrole (CID 175319906) is 1-bromo-2-propan-2-ylpyrrole.
What is the SMILES notation for 1-bromo-2-propan-2-ylpyrrole?
The canonical SMILES for 1-bromo-2-propan-2-ylpyrrole is CC(C)c1cccn1Br.
What is the InChIKey of 1-bromo-2-propan-2-ylpyrrole?
The InChIKey is NNIGWGWOZGUAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN/c1-6(2)7-4-3-5-9(7)8/h3-6H,1-2H3.
What are the key properties of 1-bromo-2-propan-2-ylpyrrole?
1-bromo-2-propan-2-ylpyrrole has a molecular weight of 188.07 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-propan-2-ylpyrrole is sourced from PubChem (CID 175319906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).