[2-[2-but-2-enoyloxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium

C11H21NO4P+ — CID 164969367

IUPAC[2-[2-but-2-enoyloxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium
SMILESCC=CC(=O)OCCP(O)C(=O)C[N+](C)(C)C
InChIInChI=1S/C11H21NO4P/c1-5-6-10(13)16-7-8-17(15)11(14)9-12(2,3)4/h5-6,15H,7-9H2,1-4H3/q+1
InChIKeyNKPASDZPYRVHGE-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.73
Rot. Bonds7

About [2-[2-but-2-enoyloxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium

[2-[2-but-2-enoyloxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium (PubChem CID 164969367) has the molecular formula C11H21NO4P+ and a molecular weight of 262.27 g/mol. Its IUPAC name is [2-[2-but-2-enoyloxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium.

Molecular Properties

Compound Name[2-[2-but-2-enoyloxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium
PubChem CID164969367
Molecular FormulaC11H21NO4P+
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name[2-[2-but-2-enoyloxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium
SMILESCC=CC(=O)OCCP(O)C(=O)C[N+](C)(C)C
InChIInChI=1S/C11H21NO4P/c1-5-6-10(13)16-7-8-17(15)11(14)9-12(2,3)4/h5-6,15H,7-9H2,1-4H3/q+1
InChIKeyNKPASDZPYRVHGE-UHFFFAOYSA-N
XLogP0.73
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-[2-but-2-enoyloxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-but-2-enoyloxypropylphosphonous acid
CID 151118739
[2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanyl]-2-oxoethyl]-trimethylazanium;2-methylprop-2-enoate
CID 87864558
butyl 2-methylprop-2-enoate;[2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanyl]-2-oxoethyl]-trimethylazanium
CID 87724338
2-[(E)-but-2-enoyl]oxyethyl (E)-but-2-enoate;ethane-1,2-diol
CID 87089825
(2-but-2-enoyloxy-2-oxoethyl)-trimethylazanium
CID 54042919
2-[4-but-2-enoyloxybutoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 174446270
dodecyl (E)-but-2-enoate
CID 5462914
4-trifluorosilylbutyl but-2-enoate
CID 174106149
3-[bis(3-but-2-enoyloxypropyl)-methoxysilyl]propyl but-2-enoate
CID 57318763
[2-[2-carboxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium
CID 154111932
3-methylbutyl (Z)-but-2-enoate
CID 93481892
4-[fluoro(dimethyl)silyl]butyl but-2-enoate
CID 174106106

Frequently Asked Questions

What is the IUPAC name of [2-[2-but-2-enoyloxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium?
The IUPAC name of [2-[2-but-2-enoyloxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium (CID 164969367) is [2-[2-but-2-enoyloxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium.
What is the SMILES notation for [2-[2-but-2-enoyloxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium?
The canonical SMILES for [2-[2-but-2-enoyloxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium is CC=CC(=O)OCCP(O)C(=O)C[N+](C)(C)C.
What is the InChIKey of [2-[2-but-2-enoyloxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium?
The InChIKey is NKPASDZPYRVHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4P/c1-5-6-10(13)16-7-8-17(15)11(14)9-12(2,3)4/h5-6,15H,7-9H2,1-4H3/q+1.
What are the key properties of [2-[2-but-2-enoyloxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium?
[2-[2-but-2-enoyloxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium has a molecular weight of 262.27 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-but-2-enoyloxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium is sourced from PubChem (CID 164969367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).