1-butyl-2-methylpyrrole;hydrobromide

C9H16BrN — CID 90238176

IUPAC1-butyl-2-methylpyrrole;hydrobromide
SMILESBr.CCCCn1cccc1C
InChIInChI=1S/C9H15N.BrH/c1-3-4-7-10-8-5-6-9(10)2;/h5-6,8H,3-4,7H2,1-2H3;1H
InChIKeyXEZJQYUYMZTOHX-UHFFFAOYSA-N
MW218.14 g/mol
LogP3.17
Rot. Bonds3

About 1-butyl-2-methylpyrrole;hydrobromide

1-butyl-2-methylpyrrole;hydrobromide (PubChem CID 90238176) has the molecular formula C9H16BrN and a molecular weight of 218.14 g/mol. Its IUPAC name is 1-butyl-2-methylpyrrole;hydrobromide.

Molecular Properties

Compound Name1-butyl-2-methylpyrrole;hydrobromide
PubChem CID90238176
Molecular FormulaC9H16BrN
Molecular Weight218.14 g/mol
Exact Mass217.05
IUPAC Name1-butyl-2-methylpyrrole;hydrobromide
SMILESBr.CCCCn1cccc1C
InChIInChI=1S/C9H15N.BrH/c1-3-4-7-10-8-5-6-9(10)2;/h5-6,8H,3-4,7H2,1-2H3;1H
InChIKeyXEZJQYUYMZTOHX-UHFFFAOYSA-N
XLogP3.17
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methylpyrrole;hydrobromide?
The IUPAC name of 1-butyl-2-methylpyrrole;hydrobromide (CID 90238176) is 1-butyl-2-methylpyrrole;hydrobromide.
What is the SMILES notation for 1-butyl-2-methylpyrrole;hydrobromide?
The canonical SMILES for 1-butyl-2-methylpyrrole;hydrobromide is Br.CCCCn1cccc1C.
What is the InChIKey of 1-butyl-2-methylpyrrole;hydrobromide?
The InChIKey is XEZJQYUYMZTOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.BrH/c1-3-4-7-10-8-5-6-9(10)2;/h5-6,8H,3-4,7H2,1-2H3;1H.
What are the key properties of 1-butyl-2-methylpyrrole;hydrobromide?
1-butyl-2-methylpyrrole;hydrobromide has a molecular weight of 218.14 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methylpyrrole;hydrobromide is sourced from PubChem (CID 90238176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).