[2,3-dihydro-1H-inden-2-yl(hydroxy)phosphoryl]methylazanium

C10H15NO2P+ — CID 7714777

IUPAC[2,3-dihydro-1H-inden-2-yl(hydroxy)phosphoryl]methylazanium
SMILES[NH3+]CP(=O)(O)C1Cc2ccccc2C1
InChIInChI=1S/C10H14NO2P/c11-7-14(12,13)10-5-8-3-1-2-4-9(8)6-10/h1-4,10H,5-7,11H2,(H,12,13)/p+1
InChIKeyQTMMCGRLIXAHQY-UHFFFAOYSA-O
MW212.21 g/mol
LogP0.62
Rot. Bonds2

About [2,3-dihydro-1H-inden-2-yl(hydroxy)phosphoryl]methylazanium

[2,3-dihydro-1H-inden-2-yl(hydroxy)phosphoryl]methylazanium (PubChem CID 7714777) has the molecular formula C10H15NO2P+ and a molecular weight of 212.21 g/mol. Its IUPAC name is [2,3-dihydro-1H-inden-2-yl(hydroxy)phosphoryl]methylazanium.

Molecular Properties

Compound Name[2,3-dihydro-1H-inden-2-yl(hydroxy)phosphoryl]methylazanium
PubChem CID7714777
Molecular FormulaC10H15NO2P+
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name[2,3-dihydro-1H-inden-2-yl(hydroxy)phosphoryl]methylazanium
SMILES[NH3+]CP(=O)(O)C1Cc2ccccc2C1
InChIInChI=1S/C10H14NO2P/c11-7-14(12,13)10-5-8-3-1-2-4-9(8)6-10/h1-4,10H,5-7,11H2,(H,12,13)/p+1
InChIKeyQTMMCGRLIXAHQY-UHFFFAOYSA-O
XLogP0.62
TPSA64.94 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,3-dihydro-1H-inden-2-yl(hydroxy)phosphoryl]methylazanium?
The IUPAC name of [2,3-dihydro-1H-inden-2-yl(hydroxy)phosphoryl]methylazanium (CID 7714777) is [2,3-dihydro-1H-inden-2-yl(hydroxy)phosphoryl]methylazanium.
What is the SMILES notation for [2,3-dihydro-1H-inden-2-yl(hydroxy)phosphoryl]methylazanium?
The canonical SMILES for [2,3-dihydro-1H-inden-2-yl(hydroxy)phosphoryl]methylazanium is [NH3+]CP(=O)(O)C1Cc2ccccc2C1.
What is the InChIKey of [2,3-dihydro-1H-inden-2-yl(hydroxy)phosphoryl]methylazanium?
The InChIKey is QTMMCGRLIXAHQY-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H14NO2P/c11-7-14(12,13)10-5-8-3-1-2-4-9(8)6-10/h1-4,10H,5-7,11H2,(H,12,13)/p+1.
What are the key properties of [2,3-dihydro-1H-inden-2-yl(hydroxy)phosphoryl]methylazanium?
[2,3-dihydro-1H-inden-2-yl(hydroxy)phosphoryl]methylazanium has a molecular weight of 212.21 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dihydro-1H-inden-2-yl(hydroxy)phosphoryl]methylazanium is sourced from PubChem (CID 7714777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).