2-methyl-5-(2-methylpropyl)-3H-pyrrole

C9H15N — CID 58333388

IUPAC2-methyl-5-(2-methylpropyl)-3H-pyrrole
SMILESCC1=NC(CC(C)C)=CC1
InChIInChI=1S/C9H15N/c1-7(2)6-9-5-4-8(3)10-9/h5,7H,4,6H2,1-3H3
InChIKeyVMLHUHMHPFARLN-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.78
Rot. Bonds2

About 2-methyl-5-(2-methylpropyl)-3H-pyrrole

2-methyl-5-(2-methylpropyl)-3H-pyrrole (PubChem CID 58333388) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpropyl)-3H-pyrrole.

Molecular Properties

Compound Name2-methyl-5-(2-methylpropyl)-3H-pyrrole
PubChem CID58333388
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-methyl-5-(2-methylpropyl)-3H-pyrrole
SMILESCC1=NC(CC(C)C)=CC1
InChIInChI=1S/C9H15N/c1-7(2)6-9-5-4-8(3)10-9/h5,7H,4,6H2,1-3H3
InChIKeyVMLHUHMHPFARLN-UHFFFAOYSA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpropyl)-3H-pyrrole?
The IUPAC name of 2-methyl-5-(2-methylpropyl)-3H-pyrrole (CID 58333388) is 2-methyl-5-(2-methylpropyl)-3H-pyrrole.
What is the SMILES notation for 2-methyl-5-(2-methylpropyl)-3H-pyrrole?
The canonical SMILES for 2-methyl-5-(2-methylpropyl)-3H-pyrrole is CC1=NC(CC(C)C)=CC1.
What is the InChIKey of 2-methyl-5-(2-methylpropyl)-3H-pyrrole?
The InChIKey is VMLHUHMHPFARLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-7(2)6-9-5-4-8(3)10-9/h5,7H,4,6H2,1-3H3.
What are the key properties of 2-methyl-5-(2-methylpropyl)-3H-pyrrole?
2-methyl-5-(2-methylpropyl)-3H-pyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylpropyl)-3H-pyrrole is sourced from PubChem (CID 58333388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).