[2-[but-1-enyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium

C9H19NO2P+ — CID 173102399

IUPAC[2-[but-1-enyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium
SMILESCCC=CP(O)C(=O)C[N+](C)(C)C
InChIInChI=1S/C9H19NO2P/c1-5-6-7-13(12)9(11)8-10(2,3)4/h6-7,12H,5,8H2,1-4H3/q+1
InChIKeyDLHXNIHDRWGVNM-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.53
Rot. Bonds5

About [2-[but-1-enyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium

[2-[but-1-enyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium (PubChem CID 173102399) has the molecular formula C9H19NO2P+ and a molecular weight of 204.23 g/mol. Its IUPAC name is [2-[but-1-enyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium.

Molecular Properties

Compound Name[2-[but-1-enyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium
PubChem CID173102399
Molecular FormulaC9H19NO2P+
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name[2-[but-1-enyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium
SMILESCCC=CP(O)C(=O)C[N+](C)(C)C
InChIInChI=1S/C9H19NO2P/c1-5-6-7-13(12)9(11)8-10(2,3)4/h6-7,12H,5,8H2,1-4H3/q+1
InChIKeyDLHXNIHDRWGVNM-UHFFFAOYSA-N
XLogP1.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-[hydroxy(nonyl)phosphanyl]-2-oxoethyl]-trimethylazanium
CID 154436758
[2-[2-carboxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium
CID 154111932
[2-[hexadecanoyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium
CID 172687979
[2-[1-ethoxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium
CID 175251976
[2-[2-but-2-enoyloxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium
CID 164969367
2-[tri((113C)methyl)azaniumyl]acetate
CID 171379439
azane;2-(trimethylazaniumyl)acetate
CID 19995695
sulfanium 2-(trimethylazaniumyl)acetate
CID 22046245
butyl 2-methylprop-2-enoate;[2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanyl]-2-oxoethyl]-trimethylazanium
CID 87724338
acetic acid;(Z)-hex-3-ene
CID 87142970
acetic acid;(E)-but-1-en-1-ol
CID 169488474
hex-3-ene;sulfane
CID 174453265

Frequently Asked Questions

What is the IUPAC name of [2-[but-1-enyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium?
The IUPAC name of [2-[but-1-enyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium (CID 173102399) is [2-[but-1-enyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium.
What is the SMILES notation for [2-[but-1-enyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium?
The canonical SMILES for [2-[but-1-enyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium is CCC=CP(O)C(=O)C[N+](C)(C)C.
What is the InChIKey of [2-[but-1-enyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium?
The InChIKey is DLHXNIHDRWGVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2P/c1-5-6-7-13(12)9(11)8-10(2,3)4/h6-7,12H,5,8H2,1-4H3/q+1.
What are the key properties of [2-[but-1-enyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium?
[2-[but-1-enyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium has a molecular weight of 204.23 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[but-1-enyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium is sourced from PubChem (CID 173102399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).