[2-(1H-indol-3-yl)-2-oxoethyl]phosphonic acid

C10H10NO4P — CID 102129257

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl]phosphonic acid
SMILESO=C(CP(=O)(O)O)c1c[nH]c2ccccc12
InChIInChI=1S/C10H10NO4P/c12-10(6-16(13,14)15)8-5-11-9-4-2-1-3-7(8)9/h1-5,11H,6H2,(H2,13,14,15)
InChIKeyISBFLOLQXHNMBI-UHFFFAOYSA-N
MW239.17 g/mol
LogP1.53
Rot. Bonds3

About [2-(1H-indol-3-yl)-2-oxoethyl]phosphonic acid

[2-(1H-indol-3-yl)-2-oxoethyl]phosphonic acid (PubChem CID 102129257) has the molecular formula C10H10NO4P and a molecular weight of 239.17 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl]phosphonic acid.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl]phosphonic acid
PubChem CID102129257
Molecular FormulaC10H10NO4P
Molecular Weight239.17 g/mol
Exact Mass239.03
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl]phosphonic acid
SMILESO=C(CP(=O)(O)O)c1c[nH]c2ccccc12
InChIInChI=1S/C10H10NO4P/c12-10(6-16(13,14)15)8-5-11-9-4-2-1-3-7(8)9/h1-5,11H,6H2,(H2,13,14,15)
InChIKeyISBFLOLQXHNMBI-UHFFFAOYSA-N
XLogP1.53
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-(1H-indol-3-yl)-2-oxoethyl]phosphonic acid 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

2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
1-(1H-indol-3-yl)-3-methoxypropan-1-one
CID 163900089
2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339236
2-(2-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339237
3-amino-1-(1H-indol-3-yl)butan-1-one
CID 116915601
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
[2-(1H-indol-3-yl)-2-oxoethyl] 2-iodobenzoate
CID 2689629
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
4-(1H-indol-3-yl)-N,N-dimethyl-4-oxobutanamide
CID 4999074
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
sodium 1H-indole-3-carboxylate
CID 23698293

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl]phosphonic acid?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl]phosphonic acid (CID 102129257) is [2-(1H-indol-3-yl)-2-oxoethyl]phosphonic acid.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl]phosphonic acid?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl]phosphonic acid is O=C(CP(=O)(O)O)c1c[nH]c2ccccc12.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl]phosphonic acid?
The InChIKey is ISBFLOLQXHNMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10NO4P/c12-10(6-16(13,14)15)8-5-11-9-4-2-1-3-7(8)9/h1-5,11H,6H2,(H2,13,14,15).
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl]phosphonic acid?
[2-(1H-indol-3-yl)-2-oxoethyl]phosphonic acid has a molecular weight of 239.17 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxoethyl]phosphonic acid is sourced from PubChem (CID 102129257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).