[3-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-trimethylazanium

C10H20NO3+ — CID 23178940

IUPAC[3-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-trimethylazanium
SMILESC=C(C)C(=O)OC(CCO)[N+](C)(C)C
InChIInChI=1S/C10H20NO3/c1-8(2)10(13)14-9(6-7-12)11(3,4)5/h9,12H,1,6-7H2,2-5H3/q+1
InChIKeyVXFGZISDZLKXGG-UHFFFAOYSA-N
MW202.27 g/mol
LogP0.52
Rot. Bonds5

About [3-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-trimethylazanium

[3-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-trimethylazanium (PubChem CID 23178940) has the molecular formula C10H20NO3+ and a molecular weight of 202.27 g/mol. Its IUPAC name is [3-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-trimethylazanium.

Molecular Properties

Compound Name[3-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-trimethylazanium
PubChem CID23178940
Molecular FormulaC10H20NO3+
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Name[3-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-trimethylazanium
SMILESC=C(C)C(=O)OC(CCO)[N+](C)(C)C
InChIInChI=1S/C10H20NO3/c1-8(2)10(13)14-9(6-7-12)11(3,4)5/h9,12H,1,6-7H2,2-5H3/q+1
InChIKeyVXFGZISDZLKXGG-UHFFFAOYSA-N
XLogP0.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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

1,2,4-trihydroxybutyl 2-methylprop-2-enoate
CID 22605120
ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)propyl]azanium
CID 87570281
1,2,5-trihydroxypentan-3-yl 2-methylprop-2-enoate
CID 90993225
bis(diethyl-methyl-[1-(2-methylprop-2-enoyloxy)propyl]azanium);sulfate
CID 174448437
ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)hexadecyl]azanium
CID 161228448
trimethyl-[1-(2-methylprop-2-enoyloxy)prop-2-enyl]azanium
CID 87588648
methanesulfonic acid;trimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 174446040
3-(hydroxymethyl)pentane-1,5-diol;tris(2-(2-methylprop-2-enoyloxy)propanoic acid)
CID 159990550
propan-2-yl 2-methylprop-2-enoate
CID 146421311
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
1-(3-hydroxypropoxy)propyl 2-methylprop-2-enoate
CID 88728076
bis(2-methylprop-2-enoyl) 2-(2-hydroxyethyl)butanedioate
CID 174159664

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-trimethylazanium?
The IUPAC name of [3-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-trimethylazanium (CID 23178940) is [3-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-trimethylazanium.
What is the SMILES notation for [3-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-trimethylazanium?
The canonical SMILES for [3-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-trimethylazanium is C=C(C)C(=O)OC(CCO)[N+](C)(C)C.
What is the InChIKey of [3-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-trimethylazanium?
The InChIKey is VXFGZISDZLKXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO3/c1-8(2)10(13)14-9(6-7-12)11(3,4)5/h9,12H,1,6-7H2,2-5H3/q+1.
What are the key properties of [3-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-trimethylazanium?
[3-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-trimethylazanium has a molecular weight of 202.27 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-trimethylazanium is sourced from PubChem (CID 23178940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).