(1S,2S)-2-[hydroxy(oxo)phosphaniumyl]-2,3-dihydro-1H-indene-1-carboxylate

C10H9O4P — CID 7720818

IUPAC(1S,2S)-2-[hydroxy(oxo)phosphaniumyl]-2,3-dihydro-1H-indene-1-carboxylate
SMILESO=C([O-])[C@@H]1c2ccccc2C[C@@H]1[P+](=O)O
InChIInChI=1S/C10H9O4P/c11-10(12)9-7-4-2-1-3-6(7)5-8(9)15(13)14/h1-4,8-9H,5H2,(H-,11,12,13,14)/t8-,9+/m0/s1
InChIKeyBSUSNOFAXQHJIT-DTWKUNHWSA-N
MW224.15 g/mol
LogP0.18
Rot. Bonds2

About (1S,2S)-2-[hydroxy(oxo)phosphaniumyl]-2,3-dihydro-1H-indene-1-carboxylate

(1S,2S)-2-[hydroxy(oxo)phosphaniumyl]-2,3-dihydro-1H-indene-1-carboxylate (PubChem CID 7720818) has the molecular formula C10H9O4P and a molecular weight of 224.15 g/mol. Its IUPAC name is (1S,2S)-2-[hydroxy(oxo)phosphaniumyl]-2,3-dihydro-1H-indene-1-carboxylate.

Molecular Properties

Compound Name(1S,2S)-2-[hydroxy(oxo)phosphaniumyl]-2,3-dihydro-1H-indene-1-carboxylate
PubChem CID7720818
Molecular FormulaC10H9O4P
Molecular Weight224.15 g/mol
Exact Mass224.02
IUPAC Name(1S,2S)-2-[hydroxy(oxo)phosphaniumyl]-2,3-dihydro-1H-indene-1-carboxylate
SMILESO=C([O-])[C@@H]1c2ccccc2C[C@@H]1[P+](=O)O
InChIInChI=1S/C10H9O4P/c11-10(12)9-7-4-2-1-3-6(7)5-8(9)15(13)14/h1-4,8-9H,5H2,(H-,11,12,13,14)/t8-,9+/m0/s1
InChIKeyBSUSNOFAXQHJIT-DTWKUNHWSA-N
XLogP0.18
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.15
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2S)-1-carboxy-2,3-dihydro-1H-inden-2-yl]-hydroxy-oxophosphanium
CID 7720814
(1R,2S)-2-phosphonato-2,3-dihydro-1H-indene-1-carboxylate
CID 7707687
(1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 15696258
2,3-dihydro-1H-indene-1,2-dicarboxylic acid
CID 21427203
1-carbamoyl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 91536565
CID 173274923
CID 173274923
bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl iodide
CID 22956884
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide
CID 2753031
methyl (1R,2R)-2-phenyl-2,3-dihydro-1H-indene-1-carboxylate
CID 101211176
(1S,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-dicarboxamide
CID 10681080
dimethyl (9S,10S)-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dicarboxylate
CID 134853900
sodium 1,4-dihydronaphthalene-1-carboxylate
CID 23708624

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-[hydroxy(oxo)phosphaniumyl]-2,3-dihydro-1H-indene-1-carboxylate?
The IUPAC name of (1S,2S)-2-[hydroxy(oxo)phosphaniumyl]-2,3-dihydro-1H-indene-1-carboxylate (CID 7720818) is (1S,2S)-2-[hydroxy(oxo)phosphaniumyl]-2,3-dihydro-1H-indene-1-carboxylate.
What is the SMILES notation for (1S,2S)-2-[hydroxy(oxo)phosphaniumyl]-2,3-dihydro-1H-indene-1-carboxylate?
The canonical SMILES for (1S,2S)-2-[hydroxy(oxo)phosphaniumyl]-2,3-dihydro-1H-indene-1-carboxylate is O=C([O-])[C@@H]1c2ccccc2C[C@@H]1[P+](=O)O.
What is the InChIKey of (1S,2S)-2-[hydroxy(oxo)phosphaniumyl]-2,3-dihydro-1H-indene-1-carboxylate?
The InChIKey is BSUSNOFAXQHJIT-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H9O4P/c11-10(12)9-7-4-2-1-3-6(7)5-8(9)15(13)14/h1-4,8-9H,5H2,(H-,11,12,13,14)/t8-,9+/m0/s1.
What are the key properties of (1S,2S)-2-[hydroxy(oxo)phosphaniumyl]-2,3-dihydro-1H-indene-1-carboxylate?
(1S,2S)-2-[hydroxy(oxo)phosphaniumyl]-2,3-dihydro-1H-indene-1-carboxylate has a molecular weight of 224.15 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-[hydroxy(oxo)phosphaniumyl]-2,3-dihydro-1H-indene-1-carboxylate is sourced from PubChem (CID 7720818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).