2,5-dimethyl-1-(3-methylbutyl)pyrrole

C11H19N — CID 5094616

IUPAC2,5-dimethyl-1-(3-methylbutyl)pyrrole
SMILESCc1ccc(C)n1CCC(C)C
InChIInChI=1S/C11H19N/c1-9(2)7-8-12-10(3)5-6-11(12)4/h5-6,9H,7-8H2,1-4H3
InChIKeyJNEXBMQSIRLCSG-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.15
Rot. Bonds3

About 2,5-dimethyl-1-(3-methylbutyl)pyrrole

2,5-dimethyl-1-(3-methylbutyl)pyrrole (PubChem CID 5094616) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2,5-dimethyl-1-(3-methylbutyl)pyrrole.

Molecular Properties

Compound Name2,5-dimethyl-1-(3-methylbutyl)pyrrole
PubChem CID5094616
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2,5-dimethyl-1-(3-methylbutyl)pyrrole
SMILESCc1ccc(C)n1CCC(C)C
InChIInChI=1S/C11H19N/c1-9(2)7-8-12-10(3)5-6-11(12)4/h5-6,9H,7-8H2,1-4H3
InChIKeyJNEXBMQSIRLCSG-UHFFFAOYSA-N
XLogP3.15
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(3-methylbutyl)pyrrole?
The IUPAC name of 2,5-dimethyl-1-(3-methylbutyl)pyrrole (CID 5094616) is 2,5-dimethyl-1-(3-methylbutyl)pyrrole.
What is the SMILES notation for 2,5-dimethyl-1-(3-methylbutyl)pyrrole?
The canonical SMILES for 2,5-dimethyl-1-(3-methylbutyl)pyrrole is Cc1ccc(C)n1CCC(C)C.
What is the InChIKey of 2,5-dimethyl-1-(3-methylbutyl)pyrrole?
The InChIKey is JNEXBMQSIRLCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-9(2)7-8-12-10(3)5-6-11(12)4/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 2,5-dimethyl-1-(3-methylbutyl)pyrrole?
2,5-dimethyl-1-(3-methylbutyl)pyrrole has a molecular weight of 165.28 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(3-methylbutyl)pyrrole is sourced from PubChem (CID 5094616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).