2-methyl-1-(2-methylpropyl)-5-propan-2-ylpyrrole

C12H21N — CID 165000147

IUPAC2-methyl-1-(2-methylpropyl)-5-propan-2-ylpyrrole
SMILESCc1ccc(C(C)C)n1CC(C)C
InChIInChI=1S/C12H21N/c1-9(2)8-13-11(5)6-7-12(13)10(3)4/h6-7,9-10H,8H2,1-5H3
InChIKeyZRXXGTVROKWTAZ-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.58
Rot. Bonds3

About 2-methyl-1-(2-methylpropyl)-5-propan-2-ylpyrrole

2-methyl-1-(2-methylpropyl)-5-propan-2-ylpyrrole (PubChem CID 165000147) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropyl)-5-propan-2-ylpyrrole.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropyl)-5-propan-2-ylpyrrole
PubChem CID165000147
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2-methyl-1-(2-methylpropyl)-5-propan-2-ylpyrrole
SMILESCc1ccc(C(C)C)n1CC(C)C
InChIInChI=1S/C12H21N/c1-9(2)8-13-11(5)6-7-12(13)10(3)4/h6-7,9-10H,8H2,1-5H3
InChIKeyZRXXGTVROKWTAZ-UHFFFAOYSA-N
XLogP3.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropyl)-5-propan-2-ylpyrrole?
The IUPAC name of 2-methyl-1-(2-methylpropyl)-5-propan-2-ylpyrrole (CID 165000147) is 2-methyl-1-(2-methylpropyl)-5-propan-2-ylpyrrole.
What is the SMILES notation for 2-methyl-1-(2-methylpropyl)-5-propan-2-ylpyrrole?
The canonical SMILES for 2-methyl-1-(2-methylpropyl)-5-propan-2-ylpyrrole is Cc1ccc(C(C)C)n1CC(C)C.
What is the InChIKey of 2-methyl-1-(2-methylpropyl)-5-propan-2-ylpyrrole?
The InChIKey is ZRXXGTVROKWTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-9(2)8-13-11(5)6-7-12(13)10(3)4/h6-7,9-10H,8H2,1-5H3.
What are the key properties of 2-methyl-1-(2-methylpropyl)-5-propan-2-ylpyrrole?
2-methyl-1-(2-methylpropyl)-5-propan-2-ylpyrrole has a molecular weight of 179.31 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropyl)-5-propan-2-ylpyrrole is sourced from PubChem (CID 165000147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).