2-methyl-5-propan-2-yl-1-propylpyrrole

C11H19N — CID 91672097

IUPAC2-methyl-5-propan-2-yl-1-propylpyrrole
SMILESCCCn1c(C)ccc1C(C)C
InChIInChI=1S/C11H19N/c1-5-8-12-10(4)6-7-11(12)9(2)3/h6-7,9H,5,8H2,1-4H3
InChIKeyXVFRDDZMAUABOT-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.33
Rot. Bonds3

About 2-methyl-5-propan-2-yl-1-propylpyrrole

2-methyl-5-propan-2-yl-1-propylpyrrole (PubChem CID 91672097) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-1-propylpyrrole.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-1-propylpyrrole
PubChem CID91672097
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-methyl-5-propan-2-yl-1-propylpyrrole
SMILESCCCn1c(C)ccc1C(C)C
InChIInChI=1S/C11H19N/c1-5-8-12-10(4)6-7-11(12)9(2)3/h6-7,9H,5,8H2,1-4H3
InChIKeyXVFRDDZMAUABOT-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-5-propan-2-yl-1-propylpyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-1-propylpyrrole?
The IUPAC name of 2-methyl-5-propan-2-yl-1-propylpyrrole (CID 91672097) is 2-methyl-5-propan-2-yl-1-propylpyrrole.
What is the SMILES notation for 2-methyl-5-propan-2-yl-1-propylpyrrole?
The canonical SMILES for 2-methyl-5-propan-2-yl-1-propylpyrrole is CCCn1c(C)ccc1C(C)C.
What is the InChIKey of 2-methyl-5-propan-2-yl-1-propylpyrrole?
The InChIKey is XVFRDDZMAUABOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-5-8-12-10(4)6-7-11(12)9(2)3/h6-7,9H,5,8H2,1-4H3.
What are the key properties of 2-methyl-5-propan-2-yl-1-propylpyrrole?
2-methyl-5-propan-2-yl-1-propylpyrrole has a molecular weight of 165.28 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-1-propylpyrrole is sourced from PubChem (CID 91672097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).