3-azidoprop-2-enylphosphonic acid

C3H6N3O3P — CID 152671373

IUPAC3-azidoprop-2-enylphosphonic acid
SMILES[N-]=[N+]=NC=CCP(=O)(O)O
InChIInChI=1S/C3H6N3O3P/c4-6-5-2-1-3-10(7,8)9/h1-2H,3H2,(H2,7,8,9)
InChIKeyZLPPLUVRFXLBEN-UHFFFAOYSA-N
MW163.07 g/mol
LogP0.99
Rot. Bonds3

About 3-azidoprop-2-enylphosphonic acid

3-azidoprop-2-enylphosphonic acid (PubChem CID 152671373) has the molecular formula C3H6N3O3P and a molecular weight of 163.07 g/mol. Its IUPAC name is 3-azidoprop-2-enylphosphonic acid.

Molecular Properties

Compound Name3-azidoprop-2-enylphosphonic acid
PubChem CID152671373
Molecular FormulaC3H6N3O3P
Molecular Weight163.07 g/mol
Exact Mass163.01
IUPAC Name3-azidoprop-2-enylphosphonic acid
SMILES[N-]=[N+]=NC=CCP(=O)(O)O
InChIInChI=1S/C3H6N3O3P/c4-6-5-2-1-3-10(7,8)9/h1-2H,3H2,(H2,7,8,9)
InChIKeyZLPPLUVRFXLBEN-UHFFFAOYSA-N
XLogP0.99
TPSA106.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.07
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-phosphonobut-2-enylphosphonic acid
CID 54391538
[(E)-4-phosphonobut-2-enyl]phosphonic acid
CID 19104465
[(E)-hex-2-enyl]phosphonic acid
CID 101410418
(Z)-1-azidoprop-1-ene
CID 151444800
ethyl (E)-3-azidoprop-2-enoate
CID 6138796
[(E)-2,6-diphosphonohex-4-en-2-yl]phosphonic acid
CID 130302903
4-diethoxyphosphorylbut-2-enylphosphonic acid
CID 141199964
2-bromoethyl (E)-3-azidoprop-2-enoate
CID 6039555
5,5-dimethoxypent-2-enylphosphonic acid
CID 174637518
(E,2R)-2-amino-5-phosphonopent-3-enoic acid
CID 14061809
acetylene;prop-2-enylphosphonic acid
CID 175361195
4,4-diethoxybut-2-enylphosphonic acid
CID 74063343

Frequently Asked Questions

What is the IUPAC name of 3-azidoprop-2-enylphosphonic acid?
The IUPAC name of 3-azidoprop-2-enylphosphonic acid (CID 152671373) is 3-azidoprop-2-enylphosphonic acid.
What is the SMILES notation for 3-azidoprop-2-enylphosphonic acid?
The canonical SMILES for 3-azidoprop-2-enylphosphonic acid is [N-]=[N+]=NC=CCP(=O)(O)O.
What is the InChIKey of 3-azidoprop-2-enylphosphonic acid?
The InChIKey is ZLPPLUVRFXLBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N3O3P/c4-6-5-2-1-3-10(7,8)9/h1-2H,3H2,(H2,7,8,9).
What are the key properties of 3-azidoprop-2-enylphosphonic acid?
3-azidoprop-2-enylphosphonic acid has a molecular weight of 163.07 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azidoprop-2-enylphosphonic acid is sourced from PubChem (CID 152671373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).