1,2,3,3,4,5-hexamethylpyrrol-1-ium

C10H18N+ — CID 21043311

IUPAC1,2,3,3,4,5-hexamethylpyrrol-1-ium
SMILESCC1=C(C)C(C)(C)C(C)=[N+]1C
InChIInChI=1S/C10H18N/c1-7-8(2)11(6)9(3)10(7,4)5/h1-6H3/q+1
InChIKeySLFNVIUWQXNHHR-UHFFFAOYSA-N
MW152.26 g/mol
LogP2.42
Rot. Bonds

About 1,2,3,3,4,5-hexamethylpyrrol-1-ium

1,2,3,3,4,5-hexamethylpyrrol-1-ium (PubChem CID 21043311) has the molecular formula C10H18N+ and a molecular weight of 152.26 g/mol. Its IUPAC name is 1,2,3,3,4,5-hexamethylpyrrol-1-ium.

Molecular Properties

Compound Name1,2,3,3,4,5-hexamethylpyrrol-1-ium
PubChem CID21043311
Molecular FormulaC10H18N+
Molecular Weight152.26 g/mol
Exact Mass152.14
IUPAC Name1,2,3,3,4,5-hexamethylpyrrol-1-ium
SMILESCC1=C(C)C(C)(C)C(C)=[N+]1C
InChIInChI=1S/C10H18N/c1-7-8(2)11(6)9(3)10(7,4)5/h1-6H3/q+1
InChIKeySLFNVIUWQXNHHR-UHFFFAOYSA-N
XLogP2.42
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1,2,3,3,4,5-hexamethylpyrrol-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,3,4,5-Pentamethylpyrrole
CID 301930
2H-Pyrrole, 3,4-dihydro-4,4,5-trimethyl-2-(1-methylethylidene)-
CID 5325603
1,2,3,4,5-pentamethyl-3H-pyrrol-1-ium
CID 20667180
2-tert-butyl-4,5-dimethyl-3H-pyrrole
CID 21050596
1,2,4,5-tetramethyl-3H-pyrrol-1-ium
CID 21335521
carbanide;meitnerium;2,3,4,5-tetramethyl-3H-pyrrole
CID 59085074
N,3,3,4,5,6,6-heptamethylhept-4-en-2-imine
CID 59366449
4,5-ditert-butyl-2-methyl-3H-pyrrole
CID 59636879
2,3,4-trimethyl-5-propan-2-yl-3H-pyrrole
CID 118924493
4-tert-butyl-2,5-dimethyl-3H-pyrrole
CID 129134131
(Z)-N,3,3,4,5,6,6-heptamethylhept-4-en-2-imine
CID 158934782
1,2,3,3,4,5-Hexamethylpyrrol-1-ium;methane;hexafluorophosphate
CID 159648092

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3,4,5-hexamethylpyrrol-1-ium?
The IUPAC name of 1,2,3,3,4,5-hexamethylpyrrol-1-ium (CID 21043311) is 1,2,3,3,4,5-hexamethylpyrrol-1-ium.
What is the SMILES notation for 1,2,3,3,4,5-hexamethylpyrrol-1-ium?
The canonical SMILES for 1,2,3,3,4,5-hexamethylpyrrol-1-ium is CC1=C(C)C(C)(C)C(C)=[N+]1C.
What is the InChIKey of 1,2,3,3,4,5-hexamethylpyrrol-1-ium?
The InChIKey is SLFNVIUWQXNHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N/c1-7-8(2)11(6)9(3)10(7,4)5/h1-6H3/q+1.
What are the key properties of 1,2,3,3,4,5-hexamethylpyrrol-1-ium?
1,2,3,3,4,5-hexamethylpyrrol-1-ium has a molecular weight of 152.26 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,4,5-hexamethylpyrrol-1-ium is sourced from PubChem (CID 21043311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).