2-methyl-5-propan-2-yl-1H-pyrrole

C8H13N — CID 44718276

IUPAC2-methyl-5-propan-2-yl-1H-pyrrole
SMILESCc1ccc(C(C)C)[nH]1
InChIInChI=1S/C8H13N/c1-6(2)8-5-4-7(3)9-8/h4-6,9H,1-3H3
InChIKeyXFOLOKYPQYBLQY-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.45
Rot. Bonds1

About 2-methyl-5-propan-2-yl-1H-pyrrole

2-methyl-5-propan-2-yl-1H-pyrrole (PubChem CID 44718276) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-1H-pyrrole.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-1H-pyrrole
PubChem CID44718276
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-methyl-5-propan-2-yl-1H-pyrrole
SMILESCc1ccc(C(C)C)[nH]1
InChIInChI=1S/C8H13N/c1-6(2)8-5-4-7(3)9-8/h4-6,9H,1-3H3
InChIKeyXFOLOKYPQYBLQY-UHFFFAOYSA-N
XLogP2.45
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-1H-pyrrole?
The IUPAC name of 2-methyl-5-propan-2-yl-1H-pyrrole (CID 44718276) is 2-methyl-5-propan-2-yl-1H-pyrrole.
What is the SMILES notation for 2-methyl-5-propan-2-yl-1H-pyrrole?
The canonical SMILES for 2-methyl-5-propan-2-yl-1H-pyrrole is Cc1ccc(C(C)C)[nH]1.
What is the InChIKey of 2-methyl-5-propan-2-yl-1H-pyrrole?
The InChIKey is XFOLOKYPQYBLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6(2)8-5-4-7(3)9-8/h4-6,9H,1-3H3.
What are the key properties of 2-methyl-5-propan-2-yl-1H-pyrrole?
2-methyl-5-propan-2-yl-1H-pyrrole has a molecular weight of 123.20 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-1H-pyrrole is sourced from PubChem (CID 44718276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).