[(E)-3-chlorobut-2-enyl]-trimethylazanium

C7H15ClN+ — CID 54605638

IUPAC[(E)-3-chlorobut-2-enyl]-trimethylazanium
SMILESC/C(Cl)=C\C[N+](C)(C)C
InChIInChI=1S/C7H15ClN/c1-7(8)5-6-9(2,3)4/h5H,6H2,1-4H3/q+1/b7-5+
InChIKeyGPOGGCGGDJOXSN-FNORWQNLSA-N
MW148.66 g/mol
LogP1.84
Rot. Bonds2

About [(E)-3-chlorobut-2-enyl]-trimethylazanium

[(E)-3-chlorobut-2-enyl]-trimethylazanium (PubChem CID 54605638) has the molecular formula C7H15ClN+ and a molecular weight of 148.66 g/mol. Its IUPAC name is [(E)-3-chlorobut-2-enyl]-trimethylazanium.

Molecular Properties

Compound Name[(E)-3-chlorobut-2-enyl]-trimethylazanium
PubChem CID54605638
Molecular FormulaC7H15ClN+
Molecular Weight148.66 g/mol
Exact Mass148.09
IUPAC Name[(E)-3-chlorobut-2-enyl]-trimethylazanium
SMILESC/C(Cl)=C\C[N+](C)(C)C
InChIInChI=1S/C7H15ClN/c1-7(8)5-6-9(2,3)4/h5H,6H2,1-4H3/q+1/b7-5+
InChIKeyGPOGGCGGDJOXSN-FNORWQNLSA-N
XLogP1.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.66
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[(Z)-3-chlorobut-2-enyl]-diethyl-methylazanium bromide
CID 134879813
[(Z)-3-chlorobut-2-enyl]-triethylazanium
CID 6034515
(E)-3-chloro-1-fluorobut-2-ene
CID 142277240
(E)-3-chloro-1-[(E)-3-chlorobut-2-enoxy]but-2-ene
CID 12583671
(E)-6-chlorohept-5-en-1-ol
CID 89165631
(E)-2-chlorohex-2-ene
CID 19796923
3-chlorobut-2-enyl-dimethyl-(2-oxo-2-prop-2-ynoxyethyl)azanium
CID 5233483
1-(3-chlorobut-2-enyl)aziridine
CID 71372371
3-hydroxyprop-2-enyl(trimethyl)azanium chloride
CID 174591801
[2,3-dibromo-5-(trimethylazaniumyl)pent-3-enyl]-trimethylazanium dibromide
CID 71966197
2-chloro-1-(2-chloroprop-1-enoxy)prop-1-ene
CID 140516361
(E)-3-chloro-1-(2-methylpropoxy)but-2-ene
CID 169180662

Frequently Asked Questions

What is the IUPAC name of [(E)-3-chlorobut-2-enyl]-trimethylazanium?
The IUPAC name of [(E)-3-chlorobut-2-enyl]-trimethylazanium (CID 54605638) is [(E)-3-chlorobut-2-enyl]-trimethylazanium.
What is the SMILES notation for [(E)-3-chlorobut-2-enyl]-trimethylazanium?
The canonical SMILES for [(E)-3-chlorobut-2-enyl]-trimethylazanium is C/C(Cl)=C\C[N+](C)(C)C.
What is the InChIKey of [(E)-3-chlorobut-2-enyl]-trimethylazanium?
The InChIKey is GPOGGCGGDJOXSN-FNORWQNLSA-N. The full InChI is InChI=1S/C7H15ClN/c1-7(8)5-6-9(2,3)4/h5H,6H2,1-4H3/q+1/b7-5+.
What are the key properties of [(E)-3-chlorobut-2-enyl]-trimethylazanium?
[(E)-3-chlorobut-2-enyl]-trimethylazanium has a molecular weight of 148.66 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-chlorobut-2-enyl]-trimethylazanium is sourced from PubChem (CID 54605638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).