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

C8H14N+ — CID 21303742

IUPAC1,3,4,5-tetramethyl-2H-pyrrol-1-ium
SMILESCC1=C(C)C(C)=[N+](C)C1
InChIInChI=1S/C8H14N/c1-6-5-9(4)8(3)7(6)2/h5H2,1-4H3/q+1
InChIKeyXBEIAWVIQVJZCB-UHFFFAOYSA-N
MW124.21 g/mol
LogP1.44
Rot. Bonds

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

1,3,4,5-tetramethyl-2H-pyrrol-1-ium (PubChem CID 21303742) has the molecular formula C8H14N+ and a molecular weight of 124.21 g/mol. Its IUPAC name is 1,3,4,5-tetramethyl-2H-pyrrol-1-ium.

Molecular Properties

Compound Name1,3,4,5-tetramethyl-2H-pyrrol-1-ium
PubChem CID21303742
Molecular FormulaC8H14N+
Molecular Weight124.21 g/mol
Exact Mass124.11
IUPAC Name1,3,4,5-tetramethyl-2H-pyrrol-1-ium
SMILESCC1=C(C)C(C)=[N+](C)C1
InChIInChI=1S/C8H14N/c1-6-5-9(4)8(3)7(6)2/h5H2,1-4H3/q+1
InChIKeyXBEIAWVIQVJZCB-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
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

3,4,5-trimethyl-2H-pyrrole
CID 12554796
2,3,4,5-tetramethyl-2H-pyrrole
CID 18508458
1,3,5-trimethyl-2H-pyrrol-1-ium
CID 20749698
1,4,5,6-Tetramethyl-2,3-dihydropyridin-1-ium
CID 21303741
3,5-Dimethyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 58386446
carbanide;meitnerium;2,3,4,5-tetramethyl-2H-pyrrole
CID 59085075
1,2,3,4,5-pentamethyl-2H-pyrrol-1-ium
CID 59881189
3,4-Dimethylpent-3-en-2-ylidene-ethyl-methylazanium
CID 123560519
4-ethyl-3,5-dimethyl-2H-pyrrole
CID 140967570
2-ethyl-3,4,5-trimethyl-2H-pyrrole
CID 142156183
ethane;3,4,5-trimethyl-2H-pyrrole
CID 143924244
4,5-dimethyl-3-propan-2-yl-2H-pyrrole
CID 157213950

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5-tetramethyl-2H-pyrrol-1-ium?
The IUPAC name of 1,3,4,5-tetramethyl-2H-pyrrol-1-ium (CID 21303742) is 1,3,4,5-tetramethyl-2H-pyrrol-1-ium.
What is the SMILES notation for 1,3,4,5-tetramethyl-2H-pyrrol-1-ium?
The canonical SMILES for 1,3,4,5-tetramethyl-2H-pyrrol-1-ium is CC1=C(C)C(C)=[N+](C)C1.
What is the InChIKey of 1,3,4,5-tetramethyl-2H-pyrrol-1-ium?
The InChIKey is XBEIAWVIQVJZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N/c1-6-5-9(4)8(3)7(6)2/h5H2,1-4H3/q+1.
What are the key properties of 1,3,4,5-tetramethyl-2H-pyrrol-1-ium?
1,3,4,5-tetramethyl-2H-pyrrol-1-ium has a molecular weight of 124.21 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5-tetramethyl-2H-pyrrol-1-ium is sourced from PubChem (CID 21303742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).