1-methyl-2-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)ethenyl]-3H-pyrrol-1-ium

C15H20N+ — CID 59977920

IUPAC1-methyl-2-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)ethenyl]-3H-pyrrol-1-ium
SMILESCC1=C(C)C(C)=C(C=CC2=[N+](C)C=CC2)C1
InChIInChI=1S/C15H20N/c1-11-10-14(13(3)12(11)2)7-8-15-6-5-9-16(15)4/h5,7-9H,6,10H2,1-4H3/q+1
InChIKeyIYZFQZZUIQIZIO-UHFFFAOYSA-N
MW214.33 g/mol
LogP3.60
Rot. Bonds2

About 1-methyl-2-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)ethenyl]-3H-pyrrol-1-ium

1-methyl-2-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)ethenyl]-3H-pyrrol-1-ium (PubChem CID 59977920) has the molecular formula C15H20N+ and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-methyl-2-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)ethenyl]-3H-pyrrol-1-ium.

Molecular Properties

Compound Name1-methyl-2-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)ethenyl]-3H-pyrrol-1-ium
PubChem CID59977920
Molecular FormulaC15H20N+
Molecular Weight214.33 g/mol
Exact Mass214.16
IUPAC Name1-methyl-2-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)ethenyl]-3H-pyrrol-1-ium
SMILESCC1=C(C)C(C)=C(C=CC2=[N+](C)C=CC2)C1
InChIInChI=1S/C15H20N/c1-11-10-14(13(3)12(11)2)7-8-15-6-5-9-16(15)4/h5,7-9H,6,10H2,1-4H3/q+1
InChIKeyIYZFQZZUIQIZIO-UHFFFAOYSA-N
XLogP3.60
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-2-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)ethenyl]-3H-pyrrol-1-ium with MolForge

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Related Compounds

(Z)-N-[(E)-but-1-enyl]-3-[(E)-1-fluoroprop-1-enyl]-4-methylhept-3-en-2-imine
CID 145143636
3-methyl-5H-indole
CID 20712166
5-Methylcyclopenta[b]pyrrole
CID 21113427
2-phenyl-3H-pyrrole
CID 57701522
2-cyclopenta-1,3-dien-1-yl-3H-pyrrole
CID 57701544
2-cyclopenta-1,3-dien-1-yl-3H-pyrrole
CID 57701545
[2-Ethylidene-5-[2-(1,3,3-trimethylpyrrol-2-ylidene)ethylidene]cyclopentylidene]-dimethylazanium
CID 59890754
1-methyl-2-[2-methyl-3-(1-methyl-3H-pyrrol-1-ium-2-yl)prop-2-enylidene]-3H-pyrrole
CID 59893251
1,3,3-Trimethyl-2-[3-methyl-5-(1,3,3-trimethylpyrrol-1-ium-2-yl)penta-2,4-dienylidene]pyrrole
CID 59946658
2,3-dimethyl-4-[2-(1-methyl-3H-pyrrol-1-ium-2-yl)ethenyl]cyclopenta-1,3-dien-1-amine
CID 59977918
4,6-dimethyl-7H-indole
CID 68730229
5,6-Bis(prop-2-enyl)cyclopenta[b]pyrrole
CID 70231768

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)ethenyl]-3H-pyrrol-1-ium?
The IUPAC name of 1-methyl-2-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)ethenyl]-3H-pyrrol-1-ium (CID 59977920) is 1-methyl-2-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)ethenyl]-3H-pyrrol-1-ium.
What is the SMILES notation for 1-methyl-2-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)ethenyl]-3H-pyrrol-1-ium?
The canonical SMILES for 1-methyl-2-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)ethenyl]-3H-pyrrol-1-ium is CC1=C(C)C(C)=C(C=CC2=[N+](C)C=CC2)C1.
What is the InChIKey of 1-methyl-2-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)ethenyl]-3H-pyrrol-1-ium?
The InChIKey is IYZFQZZUIQIZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N/c1-11-10-14(13(3)12(11)2)7-8-15-6-5-9-16(15)4/h5,7-9H,6,10H2,1-4H3/q+1.
What are the key properties of 1-methyl-2-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)ethenyl]-3H-pyrrol-1-ium?
1-methyl-2-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)ethenyl]-3H-pyrrol-1-ium has a molecular weight of 214.33 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)ethenyl]-3H-pyrrol-1-ium is sourced from PubChem (CID 59977920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).