2,3-dihydroindol-1-ylmethylphosphonic acid

C9H12NO3P — CID 53215241

IUPAC2,3-dihydroindol-1-ylmethylphosphonic acid
SMILESO=P(O)(O)CN1CCc2ccccc21
InChIInChI=1S/C9H12NO3P/c11-14(12,13)7-10-6-5-8-3-1-2-4-9(8)10/h1-4H,5-7H2,(H2,11,12,13)
InChIKeyXFPVBIOIUVKKMQ-UHFFFAOYSA-N
MW213.17 g/mol
LogP1.18
Rot. Bonds2

About 2,3-dihydroindol-1-ylmethylphosphonic acid

2,3-dihydroindol-1-ylmethylphosphonic acid (PubChem CID 53215241) has the molecular formula C9H12NO3P and a molecular weight of 213.17 g/mol. Its IUPAC name is 2,3-dihydroindol-1-ylmethylphosphonic acid.

Molecular Properties

Compound Name2,3-dihydroindol-1-ylmethylphosphonic acid
PubChem CID53215241
Molecular FormulaC9H12NO3P
Molecular Weight213.17 g/mol
Exact Mass213.06
IUPAC Name2,3-dihydroindol-1-ylmethylphosphonic acid
SMILESO=P(O)(O)CN1CCc2ccccc21
InChIInChI=1S/C9H12NO3P/c11-14(12,13)7-10-6-5-8-3-1-2-4-9(8)10/h1-4H,5-7H2,(H2,11,12,13)
InChIKeyXFPVBIOIUVKKMQ-UHFFFAOYSA-N
XLogP1.18
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.17
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydroindol-1-yl)acetate
CID 6935608
1-(chloromethyl)-2,3-dihydroindole
CID 59108457
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265
1-(2-iodoethyl)-2,3-dihydroindole
CID 131082836
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
1-(2-methylprop-2-enyl)-2,3-dihydroindole
CID 15723561
1-cyclopropyl-2-(2,3-dihydroindol-1-yl)ethanone
CID 63912554
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
2-(2,3-dihydroindol-1-ylmethyl)isoindole-1,3-dione
CID 21204263
2-(2,3-dihydroindol-1-yl)-N-phenylacetamide
CID 22199878
2-(2,3-dihydroindol-1-yl)ethyl acetate
CID 174450799
2-(2,3-dihydroindol-1-yl)-N'-hydroxyethanimidamide
CID 24703377

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-ylmethylphosphonic acid?
The IUPAC name of 2,3-dihydroindol-1-ylmethylphosphonic acid (CID 53215241) is 2,3-dihydroindol-1-ylmethylphosphonic acid.
What is the SMILES notation for 2,3-dihydroindol-1-ylmethylphosphonic acid?
The canonical SMILES for 2,3-dihydroindol-1-ylmethylphosphonic acid is O=P(O)(O)CN1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-ylmethylphosphonic acid?
The InChIKey is XFPVBIOIUVKKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NO3P/c11-14(12,13)7-10-6-5-8-3-1-2-4-9(8)10/h1-4H,5-7H2,(H2,11,12,13).
What are the key properties of 2,3-dihydroindol-1-ylmethylphosphonic acid?
2,3-dihydroindol-1-ylmethylphosphonic acid has a molecular weight of 213.17 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-ylmethylphosphonic acid is sourced from PubChem (CID 53215241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).