2-hydroxyethyl-dimethyl-(2-methylprop-2-enoyl)azanium

C8H16NO2+ — CID 54117395

IUPAC2-hydroxyethyl-dimethyl-(2-methylprop-2-enoyl)azanium
SMILESC=C(C)C(=O)[N+](C)(C)CCO
InChIInChI=1S/C8H16NO2/c1-7(2)8(11)9(3,4)5-6-10/h10H,1,5-6H2,2-4H3/q+1
InChIKeyTVVJBJOORBPPOP-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.16
Rot. Bonds3

About 2-hydroxyethyl-dimethyl-(2-methylprop-2-enoyl)azanium

2-hydroxyethyl-dimethyl-(2-methylprop-2-enoyl)azanium (PubChem CID 54117395) has the molecular formula C8H16NO2+ and a molecular weight of 158.22 g/mol. Its IUPAC name is 2-hydroxyethyl-dimethyl-(2-methylprop-2-enoyl)azanium.

Molecular Properties

Compound Name2-hydroxyethyl-dimethyl-(2-methylprop-2-enoyl)azanium
PubChem CID54117395
Molecular FormulaC8H16NO2+
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name2-hydroxyethyl-dimethyl-(2-methylprop-2-enoyl)azanium
SMILESC=C(C)C(=O)[N+](C)(C)CCO
InChIInChI=1S/C8H16NO2/c1-7(2)8(11)9(3,4)5-6-10/h10H,1,5-6H2,2-4H3/q+1
InChIKeyTVVJBJOORBPPOP-UHFFFAOYSA-N
XLogP0.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Propenamide, N,N-bis(2-hydroxyethyl)-2-methyl-
CID 3084889
2-Hydroxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 172681
N-(2-hydroxyethyl)-N,2-dimethylprop-2-enamide
CID 13531438
N-(hydroxymethyl)-2-methyl-N-(2-methylpropyl)prop-2-enamide
CID 17936728
1-(2-Hydroxyethyl)-3-methyl-1H-pyrrole-2,5-dione
CID 17962376
N-(1-hydroxyethyl)-N-(3-hydroxypropyl)-2-methylprop-2-enamide
CID 18413449
N-(2-hydroxyethyl)-N-(hydroxymethyl)-2-methylprop-2-enamide
CID 18792570
N-ethyl-N-(hydroxymethyl)-2-methylprop-2-enamide
CID 18982596
N-Ethyl-N-(2-hydroxyethyl)-2-methyl-2-propenamide
CID 19357458
N-butyl-N-(hydroxymethyl)-2-methylprop-2-enamide
CID 19767345
N-(hydroxymethyl)-2-methyl-N-propan-2-ylprop-2-enamide
CID 20027986
N-[1,2-dihydroxy-2-[hydroxymethyl(2-methylprop-2-enoyl)amino]ethyl]-N-(hydroxymethyl)-2-methylprop-2-enamide
CID 20189684

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-dimethyl-(2-methylprop-2-enoyl)azanium?
The IUPAC name of 2-hydroxyethyl-dimethyl-(2-methylprop-2-enoyl)azanium (CID 54117395) is 2-hydroxyethyl-dimethyl-(2-methylprop-2-enoyl)azanium.
What is the SMILES notation for 2-hydroxyethyl-dimethyl-(2-methylprop-2-enoyl)azanium?
The canonical SMILES for 2-hydroxyethyl-dimethyl-(2-methylprop-2-enoyl)azanium is C=C(C)C(=O)[N+](C)(C)CCO.
What is the InChIKey of 2-hydroxyethyl-dimethyl-(2-methylprop-2-enoyl)azanium?
The InChIKey is TVVJBJOORBPPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO2/c1-7(2)8(11)9(3,4)5-6-10/h10H,1,5-6H2,2-4H3/q+1.
What are the key properties of 2-hydroxyethyl-dimethyl-(2-methylprop-2-enoyl)azanium?
2-hydroxyethyl-dimethyl-(2-methylprop-2-enoyl)azanium has a molecular weight of 158.22 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-dimethyl-(2-methylprop-2-enoyl)azanium is sourced from PubChem (CID 54117395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).