[(Z)-3-chlorobut-2-enyl]-triethylazanium

C10H21ClN+ — CID 6034515

IUPAC[(Z)-3-chlorobut-2-enyl]-triethylazanium
SMILESCC[N+](CC)(CC)C/C=C(/C)Cl
InChIInChI=1S/C10H21ClN/c1-5-12(6-2,7-3)9-8-10(4)11/h8H,5-7,9H2,1-4H3/q+1/b10-8-
InChIKeyDODLBAVFMRQPDY-NTMALXAHSA-N
MW190.74 g/mol
LogP3.01
Rot. Bonds5

About [(Z)-3-chlorobut-2-enyl]-triethylazanium

[(Z)-3-chlorobut-2-enyl]-triethylazanium (PubChem CID 6034515) has the molecular formula C10H21ClN+ and a molecular weight of 190.74 g/mol. Its IUPAC name is [(Z)-3-chlorobut-2-enyl]-triethylazanium.

Molecular Properties

Compound Name[(Z)-3-chlorobut-2-enyl]-triethylazanium
PubChem CID6034515
Molecular FormulaC10H21ClN+
Molecular Weight190.74 g/mol
Exact Mass190.14
IUPAC Name[(Z)-3-chlorobut-2-enyl]-triethylazanium
SMILESCC[N+](CC)(CC)C/C=C(/C)Cl
InChIInChI=1S/C10H21ClN/c1-5-12(6-2,7-3)9-8-10(4)11/h8H,5-7,9H2,1-4H3/q+1/b10-8-
InChIKeyDODLBAVFMRQPDY-NTMALXAHSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.74
LogP ≤ 53.01
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
[(E)-3-chlorobut-2-enyl]-trimethylazanium
CID 54605638
(E)-2-chlorohex-2-ene
CID 19796923
(E)-3-chloro-1-fluorobut-2-ene
CID 142277240
(E)-3-chloro-1-[(E)-3-chlorobut-2-enoxy]but-2-ene
CID 12583671
triethyl(prop-2-enyl)azanium hexafluorophosphate
CID 175350954
methanol;tetraethylazanium;hydroxide
CID 159654840
(3E)-4-chloro-2-ethylsulfanylpenta-1,3-diene
CID 142053852
prop-1-ene;triethyl(prop-2-enyl)azanium;bromide
CID 175521328
1-(3-chlorobut-2-enyl)aziridine
CID 71372371
iron(2+);tetraethylazanium
CID 159930273
tetraethylazanium hydroxide
CID 6509

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-chlorobut-2-enyl]-triethylazanium?
The IUPAC name of [(Z)-3-chlorobut-2-enyl]-triethylazanium (CID 6034515) is [(Z)-3-chlorobut-2-enyl]-triethylazanium.
What is the SMILES notation for [(Z)-3-chlorobut-2-enyl]-triethylazanium?
The canonical SMILES for [(Z)-3-chlorobut-2-enyl]-triethylazanium is CC[N+](CC)(CC)C/C=C(/C)Cl.
What is the InChIKey of [(Z)-3-chlorobut-2-enyl]-triethylazanium?
The InChIKey is DODLBAVFMRQPDY-NTMALXAHSA-N. The full InChI is InChI=1S/C10H21ClN/c1-5-12(6-2,7-3)9-8-10(4)11/h8H,5-7,9H2,1-4H3/q+1/b10-8-.
What are the key properties of [(Z)-3-chlorobut-2-enyl]-triethylazanium?
[(Z)-3-chlorobut-2-enyl]-triethylazanium has a molecular weight of 190.74 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-chlorobut-2-enyl]-triethylazanium is sourced from PubChem (CID 6034515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).