1-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium

C10H20NO3+ — CID 18552290

IUPAC1-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OC(C)[N+](C)(C)C(C)O
InChIInChI=1S/C10H20NO3/c1-7(2)10(13)14-9(4)11(5,6)8(3)12/h8-9,12H,1H2,2-6H3/q+1
InChIKeyHQUBKFCSKPDKGY-UHFFFAOYSA-N
MW202.27 g/mol
LogP0.87
Rot. Bonds4

About 1-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium

1-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium (PubChem CID 18552290) has the molecular formula C10H20NO3+ and a molecular weight of 202.27 g/mol. Its IUPAC name is 1-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium.

Molecular Properties

Compound Name1-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
PubChem CID18552290
Molecular FormulaC10H20NO3+
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Name1-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OC(C)[N+](C)(C)C(C)O
InChIInChI=1S/C10H20NO3/c1-7(2)10(13)14-9(4)11(5,6)8(3)12/h8-9,12H,1H2,2-6H3/q+1
InChIKeyHQUBKFCSKPDKGY-UHFFFAOYSA-N
XLogP0.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 50.87
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

dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-propylazanium bromide
CID 175171875
trimethoxy-[1-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
CID 175093627
methanesulfonic acid;trimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 174446040
propan-2-yl 2-methylprop-2-enoate
CID 146421311
ethane;ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 140517255
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-tetradecylazanium
CID 175070696
decyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 166790157
(1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
CID 54304297
decyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium bromide
CID 166790156
trimethyl-[2-(2-methylprop-2-enoyloxy)propylamino]azanium
CID 174605040
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium?
The IUPAC name of 1-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium (CID 18552290) is 1-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium.
What is the SMILES notation for 1-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium?
The canonical SMILES for 1-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium is C=C(C)C(=O)OC(C)[N+](C)(C)C(C)O.
What is the InChIKey of 1-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium?
The InChIKey is HQUBKFCSKPDKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO3/c1-7(2)10(13)14-9(4)11(5,6)8(3)12/h8-9,12H,1H2,2-6H3/q+1.
What are the key properties of 1-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium?
1-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium has a molecular weight of 202.27 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium is sourced from PubChem (CID 18552290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).