2-ethenyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-1-ium

C9H12N+ — CID 143136443

IUPAC2-ethenyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-1-ium
SMILESC=CC1=C(/C=C\C)C=C[NH2+]1
InChIInChI=1S/C9H11N/c1-3-5-8-6-7-10-9(8)4-2/h3-7,10H,2H2,1H3/p+1/b5-3-
InChIKeyVQZZCFXILTZEQF-HYXAFXHYSA-O
MW134.20 g/mol
LogP1.09
Rot. Bonds2

About 2-ethenyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-1-ium

2-ethenyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-1-ium (PubChem CID 143136443) has the molecular formula C9H12N+ and a molecular weight of 134.20 g/mol. Its IUPAC name is 2-ethenyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-1-ium.

Molecular Properties

Compound Name2-ethenyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-1-ium
PubChem CID143136443
Molecular FormulaC9H12N+
Molecular Weight134.20 g/mol
Exact Mass134.10
IUPAC Name2-ethenyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-1-ium
SMILESC=CC1=C(/C=C\C)C=C[NH2+]1
InChIInChI=1S/C9H11N/c1-3-5-8-6-7-10-9(8)4-2/h3-7,10H,2H2,1H3/p+1/b5-3-
InChIKeyVQZZCFXILTZEQF-HYXAFXHYSA-O
XLogP1.09
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene
CID 156829668
6-ethenyl-2-iodo-5-[(Z)-prop-1-enyl]quinazoline
CID 155153283
5-ethenyl-2-methylidene-4-[(Z)-prop-1-enyl]-1,3-oxathiole
CID 142074058
(1Z,3E,5E,8Z,10E)-6-ethenyl-2,8,10-trimethyl-5-[(Z)-prop-1-enyl]bicyclo[9.5.0]hexadeca-1,3,5,8,10,13,15-heptaene
CID 143620439
1-ethenyl-3,3,4,4,5,5-hexafluoro-2-[(Z)-prop-1-enyl]cyclopentene
CID 142500496
1,1'-biphenyl;12-ethenyl-5-[(E)-prop-1-enyl]benzo[10]annulene
CID 143613386
3-ethenyl-4-methylidene-2-[(Z)-prop-1-enyl]thiopyran
CID 143340610
2-ethenyl-4-prop-1-enyl-1H-pyrrole
CID 123523281
2-deuterioethenylbenzene;prop-1-enylbenzene
CID 162227902
1,5-bis(ethenyl)-2-methyl-3,4,6-tris[(Z)-prop-1-enyl]benzene
CID 143846029
1-iodo-2-prop-1-enylbenzene
CID 54281188
buta-1,3-diene;bis(prop-1-enylbenzene)
CID 172716960

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-1-ium?
The IUPAC name of 2-ethenyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-1-ium (CID 143136443) is 2-ethenyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-1-ium.
What is the SMILES notation for 2-ethenyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-1-ium?
The canonical SMILES for 2-ethenyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-1-ium is C=CC1=C(/C=C\C)C=C[NH2+]1.
What is the InChIKey of 2-ethenyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-1-ium?
The InChIKey is VQZZCFXILTZEQF-HYXAFXHYSA-O. The full InChI is InChI=1S/C9H11N/c1-3-5-8-6-7-10-9(8)4-2/h3-7,10H,2H2,1H3/p+1/b5-3-.
What are the key properties of 2-ethenyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-1-ium?
2-ethenyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-1-ium has a molecular weight of 134.20 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-1-ium is sourced from PubChem (CID 143136443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).