5-methyl-2-propan-2-yl-3H-pyrrole

C8H13N — CID 58746479

IUPAC5-methyl-2-propan-2-yl-3H-pyrrole
SMILESCC1=CCC(C(C)C)=N1
InChIInChI=1S/C8H13N/c1-6(2)8-5-4-7(3)9-8/h4,6H,5H2,1-3H3
InChIKeyWEXOUQBYKUYJNR-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.39
Rot. Bonds1

About 5-methyl-2-propan-2-yl-3H-pyrrole

5-methyl-2-propan-2-yl-3H-pyrrole (PubChem CID 58746479) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-3H-pyrrole.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-3H-pyrrole
PubChem CID58746479
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name5-methyl-2-propan-2-yl-3H-pyrrole
SMILESCC1=CCC(C(C)C)=N1
InChIInChI=1S/C8H13N/c1-6(2)8-5-4-7(3)9-8/h4,6H,5H2,1-3H3
InChIKeyWEXOUQBYKUYJNR-UHFFFAOYSA-N
XLogP2.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-3H-pyrrole?
The IUPAC name of 5-methyl-2-propan-2-yl-3H-pyrrole (CID 58746479) is 5-methyl-2-propan-2-yl-3H-pyrrole.
What is the SMILES notation for 5-methyl-2-propan-2-yl-3H-pyrrole?
The canonical SMILES for 5-methyl-2-propan-2-yl-3H-pyrrole is CC1=CCC(C(C)C)=N1.
What is the InChIKey of 5-methyl-2-propan-2-yl-3H-pyrrole?
The InChIKey is WEXOUQBYKUYJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6(2)8-5-4-7(3)9-8/h4,6H,5H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-3H-pyrrole?
5-methyl-2-propan-2-yl-3H-pyrrole has a molecular weight of 123.20 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-3H-pyrrole is sourced from PubChem (CID 58746479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).