1,2,4,5-tetramethyl-3H-pyrrol-1-ium

C8H14N+ — CID 21335521

IUPAC1,2,4,5-tetramethyl-3H-pyrrol-1-ium
SMILESCC1=C(C)[N+](C)=C(C)C1
InChIInChI=1S/C8H14N/c1-6-5-7(2)9(4)8(6)3/h5H2,1-4H3/q+1
InChIKeyGHCHDWOZLBFSEQ-UHFFFAOYSA-N
MW124.21 g/mol
LogP1.79
Rot. Bonds

About 1,2,4,5-tetramethyl-3H-pyrrol-1-ium

1,2,4,5-tetramethyl-3H-pyrrol-1-ium (PubChem CID 21335521) has the molecular formula C8H14N+ and a molecular weight of 124.21 g/mol. Its IUPAC name is 1,2,4,5-tetramethyl-3H-pyrrol-1-ium.

Molecular Properties

Compound Name1,2,4,5-tetramethyl-3H-pyrrol-1-ium
PubChem CID21335521
Molecular FormulaC8H14N+
Molecular Weight124.21 g/mol
Exact Mass124.11
IUPAC Name1,2,4,5-tetramethyl-3H-pyrrol-1-ium
SMILESCC1=C(C)[N+](C)=C(C)C1
InChIInChI=1S/C8H14N/c1-6-5-7(2)9(4)8(6)3/h5H2,1-4H3/q+1
InChIKeyGHCHDWOZLBFSEQ-UHFFFAOYSA-N
XLogP1.79
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.21
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4,5-trimethyl-3H-pyrrole
CID 9793719
1,2,3,4,5-pentamethyl-3H-pyrrol-1-ium
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4-ethyl-2,5-dimethyl-3H-pyrrole
CID 20765952
1,2,3,3,4,5-Hexamethylpyrrol-1-ium
CID 21043311
2,3,4,5-tetramethyl-3H-pyrrole
CID 53757448
N,N,3-trimethyl-4-methyliminopent-2-en-2-amine
CID 57587526
5-butyl-2,4-dimethyl-3H-pyrrole
CID 58851256
[(Z)-4-(dimethylamino)-3-methylpent-3-en-2-ylidene]-dimethylazanium
CID 58939582
2,4-dimethyl-5-propan-2-yl-3H-pyrrole
CID 68249327
2,5,6-Trimethyl-3,4-dihydropyridine
CID 88990187
2-ethyl-4,5-dimethyl-3H-pyrrole
CID 89100809
1,2,3,5-Tetramethyl-4-methylidenepyrrol-1-ium
CID 118097718

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetramethyl-3H-pyrrol-1-ium?
The IUPAC name of 1,2,4,5-tetramethyl-3H-pyrrol-1-ium (CID 21335521) is 1,2,4,5-tetramethyl-3H-pyrrol-1-ium.
What is the SMILES notation for 1,2,4,5-tetramethyl-3H-pyrrol-1-ium?
The canonical SMILES for 1,2,4,5-tetramethyl-3H-pyrrol-1-ium is CC1=C(C)[N+](C)=C(C)C1.
What is the InChIKey of 1,2,4,5-tetramethyl-3H-pyrrol-1-ium?
The InChIKey is GHCHDWOZLBFSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N/c1-6-5-7(2)9(4)8(6)3/h5H2,1-4H3/q+1.
What are the key properties of 1,2,4,5-tetramethyl-3H-pyrrol-1-ium?
1,2,4,5-tetramethyl-3H-pyrrol-1-ium has a molecular weight of 124.21 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetramethyl-3H-pyrrol-1-ium is sourced from PubChem (CID 21335521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).