carbanide;trimethyl-[2-[(E)-4-oxopent-2-enoyl]oxyethyl]azanium

C11H21NO3 — CID 161190638

IUPACcarbanide;trimethyl-[2-[(E)-4-oxopent-2-enoyl]oxyethyl]azanium
SMILESCC(=O)/C=C/C(=O)OCC[N+](C)(C)C.[CH3-]
InChIInChI=1S/C10H18NO3.CH3/c1-9(12)5-6-10(13)14-8-7-11(2,3)4;/h5-6H,7-8H2,1-4H3;1H3/q+1;-1/b6-5+;
InChIKeyUTRDNPLMQWOLKR-IPZCTEOASA-N
MW215.29 g/mol
LogP0.83
Rot. Bonds5

About carbanide;trimethyl-[2-[(E)-4-oxopent-2-enoyl]oxyethyl]azanium

carbanide;trimethyl-[2-[(E)-4-oxopent-2-enoyl]oxyethyl]azanium (PubChem CID 161190638) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is carbanide;trimethyl-[2-[(E)-4-oxopent-2-enoyl]oxyethyl]azanium.

Molecular Properties

Compound Namecarbanide;trimethyl-[2-[(E)-4-oxopent-2-enoyl]oxyethyl]azanium
PubChem CID161190638
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namecarbanide;trimethyl-[2-[(E)-4-oxopent-2-enoyl]oxyethyl]azanium
SMILESCC(=O)/C=C/C(=O)OCC[N+](C)(C)C.[CH3-]
InChIInChI=1S/C10H18NO3.CH3/c1-9(12)5-6-10(13)14-8-7-11(2,3)4;/h5-6H,7-8H2,1-4H3;1H3/q+1;-1/b6-5+;
InChIKeyUTRDNPLMQWOLKR-IPZCTEOASA-N
XLogP0.83
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-hept-2-enoyloxyethyl(trimethyl)azanium
CID 174211574
2-acetyloxyethyl(trimethyl)azanium;phosphane
CID 172811747
calcium;2-acetyloxyethyl(trimethyl)azanium;hydride
CID 174840890
CID 158732412
CID 158732412
sulfuric acid;trimethyl(2-prop-2-enoyloxyethyl)azanium
CID 87436586
2-(2-diazoacetyl)oxyethyl-trimethylazanium bromide
CID 71436825
trimethyl-[2-[(E)-3-(4-methylphenyl)prop-2-enoyl]oxyethyl]azanium chloride
CID 23459285
barium(2+);2-carbamoyloxyethyl(trimethyl)azanium
CID 88516621
azanium;trimethyl(2-prop-2-enoyloxyethyl)azanium;sulfate
CID 172833896
2-acetyloxyethyl(trimethyl)azanium;2-hydroxypropanoic acid
CID 158766752
2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]ethyl-trimethylazanium
CID 54470093
CID 174726495
CID 174726495

Frequently Asked Questions

What is the IUPAC name of carbanide;trimethyl-[2-[(E)-4-oxopent-2-enoyl]oxyethyl]azanium?
The IUPAC name of carbanide;trimethyl-[2-[(E)-4-oxopent-2-enoyl]oxyethyl]azanium (CID 161190638) is carbanide;trimethyl-[2-[(E)-4-oxopent-2-enoyl]oxyethyl]azanium.
What is the SMILES notation for carbanide;trimethyl-[2-[(E)-4-oxopent-2-enoyl]oxyethyl]azanium?
The canonical SMILES for carbanide;trimethyl-[2-[(E)-4-oxopent-2-enoyl]oxyethyl]azanium is CC(=O)/C=C/C(=O)OCC[N+](C)(C)C.[CH3-].
What is the InChIKey of carbanide;trimethyl-[2-[(E)-4-oxopent-2-enoyl]oxyethyl]azanium?
The InChIKey is UTRDNPLMQWOLKR-IPZCTEOASA-N. The full InChI is InChI=1S/C10H18NO3.CH3/c1-9(12)5-6-10(13)14-8-7-11(2,3)4;/h5-6H,7-8H2,1-4H3;1H3/q+1;-1/b6-5+;.
What are the key properties of carbanide;trimethyl-[2-[(E)-4-oxopent-2-enoyl]oxyethyl]azanium?
carbanide;trimethyl-[2-[(E)-4-oxopent-2-enoyl]oxyethyl]azanium has a molecular weight of 215.29 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;trimethyl-[2-[(E)-4-oxopent-2-enoyl]oxyethyl]azanium is sourced from PubChem (CID 161190638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).