benzyl-diethyl-prop-2-enoyloxyazanium

C14H20NO2+ — CID 175405190

IUPACbenzyl-diethyl-prop-2-enoyloxyazanium
SMILESC=CC(=O)O[N+](CC)(CC)Cc1ccccc1
InChIInChI=1S/C14H20NO2/c1-4-14(16)17-15(5-2,6-3)12-13-10-8-7-9-11-13/h4,7-11H,1,5-6,12H2,2-3H3/q+1
InChIKeySYLRMKHZEQLPIQ-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.69
Rot. Bonds6

About benzyl-diethyl-prop-2-enoyloxyazanium

benzyl-diethyl-prop-2-enoyloxyazanium (PubChem CID 175405190) has the molecular formula C14H20NO2+ and a molecular weight of 234.32 g/mol. Its IUPAC name is benzyl-diethyl-prop-2-enoyloxyazanium.

Molecular Properties

Compound Namebenzyl-diethyl-prop-2-enoyloxyazanium
PubChem CID175405190
Molecular FormulaC14H20NO2+
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Namebenzyl-diethyl-prop-2-enoyloxyazanium
SMILESC=CC(=O)O[N+](CC)(CC)Cc1ccccc1
InChIInChI=1S/C14H20NO2/c1-4-14(16)17-15(5-2,6-3)12-13-10-8-7-9-11-13/h4,7-11H,1,5-6,12H2,2-3H3/q+1
InChIKeySYLRMKHZEQLPIQ-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

benzyl-diethyl-(2-prop-2-enoyloxyethyl)azanium iodide
CID 142745009
benzyl-diethyl-(2-prop-2-enoyloxypropyl)azanium
CID 3022823
benzyl-ethyl-methyl-(3-prop-2-enoyloxypropyl)azanium iodide
CID 141382703
benzyl-dimethyl-(1-prop-2-enoyloxypropyl)azanium
CID 174601755
benzyl(triethyl)azanium;prop-2-enamide;chloride
CID 87304948
benzyl(triethyl)azanium;prop-2-enamide;bromide
CID 88664409
benzyl-methyl-(2-prop-2-enoyloxybutan-2-yl)-prop-2-enylazanium chloride
CID 174550914
benzyl-(3-prop-2-enoyloxypropyl)-dipropylazanium chloride
CID 87837686
benzyl-methyl-(1-prop-2-enoyloxypropyl)-prop-2-enylazanium
CID 174548375
benzyl-methyl-(methylamino)-[methyl(prop-2-enoyloxy)amino]azanium
CID 176657640
benzyl-dimethyl-(4-prop-2-enoyloxybutyl)azanium iodide
CID 141315122
benzylsulfanylmethyl prop-2-enoate
CID 141067700

Frequently Asked Questions

What is the IUPAC name of benzyl-diethyl-prop-2-enoyloxyazanium?
The IUPAC name of benzyl-diethyl-prop-2-enoyloxyazanium (CID 175405190) is benzyl-diethyl-prop-2-enoyloxyazanium.
What is the SMILES notation for benzyl-diethyl-prop-2-enoyloxyazanium?
The canonical SMILES for benzyl-diethyl-prop-2-enoyloxyazanium is C=CC(=O)O[N+](CC)(CC)Cc1ccccc1.
What is the InChIKey of benzyl-diethyl-prop-2-enoyloxyazanium?
The InChIKey is SYLRMKHZEQLPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20NO2/c1-4-14(16)17-15(5-2,6-3)12-13-10-8-7-9-11-13/h4,7-11H,1,5-6,12H2,2-3H3/q+1.
What are the key properties of benzyl-diethyl-prop-2-enoyloxyazanium?
benzyl-diethyl-prop-2-enoyloxyazanium has a molecular weight of 234.32 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-diethyl-prop-2-enoyloxyazanium is sourced from PubChem (CID 175405190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).