1,2,2,3,4,5,5-heptamethylpyrrole

C11H21N — CID 58150617

IUPAC1,2,2,3,4,5,5-heptamethylpyrrole
SMILESCC1=C(C)C(C)(C)N(C)C1(C)C
InChIInChI=1S/C11H21N/c1-8-9(2)11(5,6)12(7)10(8,3)4/h1-7H3
InChIKeyWYFYROSTWPNJOF-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.83
Rot. Bonds

About 1,2,2,3,4,5,5-heptamethylpyrrole

1,2,2,3,4,5,5-heptamethylpyrrole (PubChem CID 58150617) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1,2,2,3,4,5,5-heptamethylpyrrole.

Molecular Properties

Compound Name1,2,2,3,4,5,5-heptamethylpyrrole
PubChem CID58150617
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1,2,2,3,4,5,5-heptamethylpyrrole
SMILESCC1=C(C)C(C)(C)N(C)C1(C)C
InChIInChI=1S/C11H21N/c1-8-9(2)11(5,6)12(7)10(8,3)4/h1-7H3
InChIKeyWYFYROSTWPNJOF-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.83
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 1,2,2,3,4,5,5-heptamethylpyrrole?
The IUPAC name of 1,2,2,3,4,5,5-heptamethylpyrrole (CID 58150617) is 1,2,2,3,4,5,5-heptamethylpyrrole.
What is the SMILES notation for 1,2,2,3,4,5,5-heptamethylpyrrole?
The canonical SMILES for 1,2,2,3,4,5,5-heptamethylpyrrole is CC1=C(C)C(C)(C)N(C)C1(C)C.
What is the InChIKey of 1,2,2,3,4,5,5-heptamethylpyrrole?
The InChIKey is WYFYROSTWPNJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-8-9(2)11(5,6)12(7)10(8,3)4/h1-7H3.
What are the key properties of 1,2,2,3,4,5,5-heptamethylpyrrole?
1,2,2,3,4,5,5-heptamethylpyrrole has a molecular weight of 167.30 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,4,5,5-heptamethylpyrrole is sourced from PubChem (CID 58150617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).