[2-[hydroxy-(4-methyl-3-oxopent-4-en-2-yl)phosphanyl]-2-oxoethyl]-trimethylazanium

C11H21NO3P+ — CID 175350831

IUPAC[2-[hydroxy-(4-methyl-3-oxopent-4-en-2-yl)phosphanyl]-2-oxoethyl]-trimethylazanium
SMILESC=C(C)C(=O)C(C)P(O)C(=O)C[N+](C)(C)C
InChIInChI=1S/C11H21NO3P/c1-8(2)11(14)9(3)16(15)10(13)7-12(4,5)6/h9,15H,1,7H2,2-6H3/q+1
InChIKeyLGCVXARCBMUAOP-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.14
Rot. Bonds6

About [2-[hydroxy-(4-methyl-3-oxopent-4-en-2-yl)phosphanyl]-2-oxoethyl]-trimethylazanium

[2-[hydroxy-(4-methyl-3-oxopent-4-en-2-yl)phosphanyl]-2-oxoethyl]-trimethylazanium (PubChem CID 175350831) has the molecular formula C11H21NO3P+ and a molecular weight of 246.27 g/mol. Its IUPAC name is [2-[hydroxy-(4-methyl-3-oxopent-4-en-2-yl)phosphanyl]-2-oxoethyl]-trimethylazanium.

Molecular Properties

Compound Name[2-[hydroxy-(4-methyl-3-oxopent-4-en-2-yl)phosphanyl]-2-oxoethyl]-trimethylazanium
PubChem CID175350831
Molecular FormulaC11H21NO3P+
Molecular Weight246.27 g/mol
Exact Mass246.13
IUPAC Name[2-[hydroxy-(4-methyl-3-oxopent-4-en-2-yl)phosphanyl]-2-oxoethyl]-trimethylazanium
SMILESC=C(C)C(=O)C(C)P(O)C(=O)C[N+](C)(C)C
InChIInChI=1S/C11H21NO3P/c1-8(2)11(14)9(3)16(15)10(13)7-12(4,5)6/h9,15H,1,7H2,2-6H3/q+1
InChIKeyLGCVXARCBMUAOP-UHFFFAOYSA-N
XLogP1.14
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

[2-[1-ethoxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium
CID 175251976
[2-[hydroxy(2-hydroxypropyl)phosphanyl]-2-oxoethyl]-trimethylazanium
CID 175453056
[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-hydroxypropyl(trimethyl)azanium;2-methylprop-2-enoate;hydrochloride
CID 175459038
[2-[2-carboxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium
CID 154111932
(2-hydroxy-5-methyl-3,4-dioxohex-5-enyl)-trimethylazanium
CID 87247999
2-[tri((113C)methyl)azaniumyl]acetate
CID 171379439
5-methoxy-2,4-dimethylpent-1-en-3-one
CID 20663748
2-carboxypropan-2-yl-(2,4-dimethyl-3-oxopent-4-enyl)-dimethylazanium
CID 87120839
4-ethyl-2-methylhex-1-en-3-one
CID 115780929
[2-[hydroxy(nonyl)phosphanyl]-2-oxoethyl]-trimethylazanium
CID 154436758

Frequently Asked Questions

What is the IUPAC name of [2-[hydroxy-(4-methyl-3-oxopent-4-en-2-yl)phosphanyl]-2-oxoethyl]-trimethylazanium?
The IUPAC name of [2-[hydroxy-(4-methyl-3-oxopent-4-en-2-yl)phosphanyl]-2-oxoethyl]-trimethylazanium (CID 175350831) is [2-[hydroxy-(4-methyl-3-oxopent-4-en-2-yl)phosphanyl]-2-oxoethyl]-trimethylazanium.
What is the SMILES notation for [2-[hydroxy-(4-methyl-3-oxopent-4-en-2-yl)phosphanyl]-2-oxoethyl]-trimethylazanium?
The canonical SMILES for [2-[hydroxy-(4-methyl-3-oxopent-4-en-2-yl)phosphanyl]-2-oxoethyl]-trimethylazanium is C=C(C)C(=O)C(C)P(O)C(=O)C[N+](C)(C)C.
What is the InChIKey of [2-[hydroxy-(4-methyl-3-oxopent-4-en-2-yl)phosphanyl]-2-oxoethyl]-trimethylazanium?
The InChIKey is LGCVXARCBMUAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3P/c1-8(2)11(14)9(3)16(15)10(13)7-12(4,5)6/h9,15H,1,7H2,2-6H3/q+1.
What are the key properties of [2-[hydroxy-(4-methyl-3-oxopent-4-en-2-yl)phosphanyl]-2-oxoethyl]-trimethylazanium?
[2-[hydroxy-(4-methyl-3-oxopent-4-en-2-yl)phosphanyl]-2-oxoethyl]-trimethylazanium has a molecular weight of 246.27 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[hydroxy-(4-methyl-3-oxopent-4-en-2-yl)phosphanyl]-2-oxoethyl]-trimethylazanium is sourced from PubChem (CID 175350831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).