3-methyl-2,4-di(propan-2-yl)-3H-pyrrole

C11H19N — CID 89308388

IUPAC3-methyl-2,4-di(propan-2-yl)-3H-pyrrole
SMILESCC(C)C1=CN=C(C(C)C)C1C
InChIInChI=1S/C11H19N/c1-7(2)10-6-12-11(8(3)4)9(10)5/h6-9H,1-5H3
InChIKeyZQGRTQLTSQXYFH-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.27
Rot. Bonds2

About 3-methyl-2,4-di(propan-2-yl)-3H-pyrrole

3-methyl-2,4-di(propan-2-yl)-3H-pyrrole (PubChem CID 89308388) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 3-methyl-2,4-di(propan-2-yl)-3H-pyrrole.

Molecular Properties

Compound Name3-methyl-2,4-di(propan-2-yl)-3H-pyrrole
PubChem CID89308388
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name3-methyl-2,4-di(propan-2-yl)-3H-pyrrole
SMILESCC(C)C1=CN=C(C(C)C)C1C
InChIInChI=1S/C11H19N/c1-7(2)10-6-12-11(8(3)4)9(10)5/h6-9H,1-5H3
InChIKeyZQGRTQLTSQXYFH-UHFFFAOYSA-N
XLogP3.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-Fluoroethyl)-5-(2-methylpropyl)-3,4-dihydropyridine
CID 170274335
3-ethyl-2-(fluoromethyl)-N-methylnon-1-en-4-imine
CID 143491190
2-ethyl-N-[(E)-2-ethylhex-1-enyl]hexan-1-imine
CID 20436141
2-methyl-4-propan-2-yl-3H-pyrrole
CID 20745704
2-methyl-3-propyl-3H-pyrrole
CID 20806847
2-ethyl-N-(2-ethylhex-1-enyl)hexan-1-imine
CID 53891917
2-tert-butyl-4-propan-2-yl-3H-pyrrole
CID 58490892
2-butan-2-yl-3H-pyrrole
CID 58559892
2,4-ditert-butyl-3H-pyrrole
CID 59825006
4-methyl-2-propan-2-yl-3H-pyrrole
CID 60081030
2,4-di(propan-2-yl)-3H-pyrrole
CID 60102688
2,3,5-Trimethyl-3,4-dihydropyridine
CID 70334290

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4-di(propan-2-yl)-3H-pyrrole?
The IUPAC name of 3-methyl-2,4-di(propan-2-yl)-3H-pyrrole (CID 89308388) is 3-methyl-2,4-di(propan-2-yl)-3H-pyrrole.
What is the SMILES notation for 3-methyl-2,4-di(propan-2-yl)-3H-pyrrole?
The canonical SMILES for 3-methyl-2,4-di(propan-2-yl)-3H-pyrrole is CC(C)C1=CN=C(C(C)C)C1C.
What is the InChIKey of 3-methyl-2,4-di(propan-2-yl)-3H-pyrrole?
The InChIKey is ZQGRTQLTSQXYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-7(2)10-6-12-11(8(3)4)9(10)5/h6-9H,1-5H3.
What are the key properties of 3-methyl-2,4-di(propan-2-yl)-3H-pyrrole?
3-methyl-2,4-di(propan-2-yl)-3H-pyrrole has a molecular weight of 165.28 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4-di(propan-2-yl)-3H-pyrrole is sourced from PubChem (CID 89308388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).