(2-amino-1,3-dihydroinden-2-yl)phosphonic acid;hydrochloride

C9H13ClNO3P — CID 70700922

IUPAC(2-amino-1,3-dihydroinden-2-yl)phosphonic acid;hydrochloride
SMILESCl.NC1(P(=O)(O)O)Cc2ccccc2C1
InChIInChI=1S/C9H12NO3P.ClH/c10-9(14(11,12)13)5-7-3-1-2-4-8(7)6-9;/h1-4H,5-6,10H2,(H2,11,12,13);1H
InChIKeyVZZDWKUDNIOOBD-UHFFFAOYSA-N
MW249.63 g/mol
LogP1.04
Rot. Bonds1

About (2-amino-1,3-dihydroinden-2-yl)phosphonic acid;hydrochloride

(2-amino-1,3-dihydroinden-2-yl)phosphonic acid;hydrochloride (PubChem CID 70700922) has the molecular formula C9H13ClNO3P and a molecular weight of 249.63 g/mol. Its IUPAC name is (2-amino-1,3-dihydroinden-2-yl)phosphonic acid;hydrochloride.

Molecular Properties

Compound Name(2-amino-1,3-dihydroinden-2-yl)phosphonic acid;hydrochloride
PubChem CID70700922
Molecular FormulaC9H13ClNO3P
Molecular Weight249.63 g/mol
Exact Mass249.03
IUPAC Name(2-amino-1,3-dihydroinden-2-yl)phosphonic acid;hydrochloride
SMILESCl.NC1(P(=O)(O)O)Cc2ccccc2C1
InChIInChI=1S/C9H12NO3P.ClH/c10-9(14(11,12)13)5-7-3-1-2-4-8(7)6-9;/h1-4H,5-6,10H2,(H2,11,12,13);1H
InChIKeyVZZDWKUDNIOOBD-UHFFFAOYSA-N
XLogP1.04
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.63
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-amino-1,3-dihydroinden-2-yl)phosphonic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-dihydroinden-2-yl)phosphonic acid;hydrochloride?
The IUPAC name of (2-amino-1,3-dihydroinden-2-yl)phosphonic acid;hydrochloride (CID 70700922) is (2-amino-1,3-dihydroinden-2-yl)phosphonic acid;hydrochloride.
What is the SMILES notation for (2-amino-1,3-dihydroinden-2-yl)phosphonic acid;hydrochloride?
The canonical SMILES for (2-amino-1,3-dihydroinden-2-yl)phosphonic acid;hydrochloride is Cl.NC1(P(=O)(O)O)Cc2ccccc2C1.
What is the InChIKey of (2-amino-1,3-dihydroinden-2-yl)phosphonic acid;hydrochloride?
The InChIKey is VZZDWKUDNIOOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NO3P.ClH/c10-9(14(11,12)13)5-7-3-1-2-4-8(7)6-9;/h1-4H,5-6,10H2,(H2,11,12,13);1H.
What are the key properties of (2-amino-1,3-dihydroinden-2-yl)phosphonic acid;hydrochloride?
(2-amino-1,3-dihydroinden-2-yl)phosphonic acid;hydrochloride has a molecular weight of 249.63 g/mol, XLogP of 1.04, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-dihydroinden-2-yl)phosphonic acid;hydrochloride is sourced from PubChem (CID 70700922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).