1,2,2,3,5,5-hexamethylpyrrole

C10H19N — CID 58838502

IUPAC1,2,2,3,5,5-hexamethylpyrrole
SMILESCC1=CC(C)(C)N(C)C1(C)C
InChIInChI=1S/C10H19N/c1-8-7-9(2,3)11(6)10(8,4)5/h7H,1-6H3
InChIKeyIYRQFGTXCYXXLV-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.44
Rot. Bonds

About 1,2,2,3,5,5-hexamethylpyrrole

1,2,2,3,5,5-hexamethylpyrrole (PubChem CID 58838502) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1,2,2,3,5,5-hexamethylpyrrole.

Molecular Properties

Compound Name1,2,2,3,5,5-hexamethylpyrrole
PubChem CID58838502
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1,2,2,3,5,5-hexamethylpyrrole
SMILESCC1=CC(C)(C)N(C)C1(C)C
InChIInChI=1S/C10H19N/c1-8-7-9(2,3)11(6)10(8,4)5/h7H,1-6H3
InChIKeyIYRQFGTXCYXXLV-UHFFFAOYSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,5,5-hexamethylpyrrole?
The IUPAC name of 1,2,2,3,5,5-hexamethylpyrrole (CID 58838502) is 1,2,2,3,5,5-hexamethylpyrrole.
What is the SMILES notation for 1,2,2,3,5,5-hexamethylpyrrole?
The canonical SMILES for 1,2,2,3,5,5-hexamethylpyrrole is CC1=CC(C)(C)N(C)C1(C)C.
What is the InChIKey of 1,2,2,3,5,5-hexamethylpyrrole?
The InChIKey is IYRQFGTXCYXXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-8-7-9(2,3)11(6)10(8,4)5/h7H,1-6H3.
What are the key properties of 1,2,2,3,5,5-hexamethylpyrrole?
1,2,2,3,5,5-hexamethylpyrrole has a molecular weight of 153.27 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,5,5-hexamethylpyrrole is sourced from PubChem (CID 58838502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).