aminophosphonous acid;bicyclo[2.2.1]hept-2-ene

C7H14NO2P — CID 67327267

IUPACaminophosphonous acid;bicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CCC1C2.NP(O)O
InChIInChI=1S/C7H10.H4NO2P/c1-2-7-4-3-6(1)5-7;1-4(2)3/h1-2,6-7H,3-5H2;2-3H,1H2
InChIKeyLNYZWMABWVUHMT-UHFFFAOYSA-N
MW175.17 g/mol
LogP1.13
Rot. Bonds

About aminophosphonous acid;bicyclo[2.2.1]hept-2-ene

aminophosphonous acid;bicyclo[2.2.1]hept-2-ene (PubChem CID 67327267) has the molecular formula C7H14NO2P and a molecular weight of 175.17 g/mol. Its IUPAC name is aminophosphonous acid;bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Nameaminophosphonous acid;bicyclo[2.2.1]hept-2-ene
PubChem CID67327267
Molecular FormulaC7H14NO2P
Molecular Weight175.17 g/mol
Exact Mass175.08
IUPAC Nameaminophosphonous acid;bicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CCC1C2.NP(O)O
InChIInChI=1S/C7H10.H4NO2P/c1-2-7-4-3-6(1)5-7;1-4(2)3/h1-2,6-7H,3-5H2;2-3H,1H2
InChIKeyLNYZWMABWVUHMT-UHFFFAOYSA-N
XLogP1.13
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.17
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze aminophosphonous acid;bicyclo[2.2.1]hept-2-ene 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 aminophosphonous acid;bicyclo[2.2.1]hept-2-ene?
The IUPAC name of aminophosphonous acid;bicyclo[2.2.1]hept-2-ene (CID 67327267) is aminophosphonous acid;bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for aminophosphonous acid;bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for aminophosphonous acid;bicyclo[2.2.1]hept-2-ene is C1=CC2CCC1C2.NP(O)O.
What is the InChIKey of aminophosphonous acid;bicyclo[2.2.1]hept-2-ene?
The InChIKey is LNYZWMABWVUHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.H4NO2P/c1-2-7-4-3-6(1)5-7;1-4(2)3/h1-2,6-7H,3-5H2;2-3H,1H2.
What are the key properties of aminophosphonous acid;bicyclo[2.2.1]hept-2-ene?
aminophosphonous acid;bicyclo[2.2.1]hept-2-ene has a molecular weight of 175.17 g/mol, XLogP of 1.13, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminophosphonous acid;bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 67327267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).