tris(1-aminoprop-2-enyl) phosphate

C9H18N3O4P — CID 87145012

IUPACtris(1-aminoprop-2-enyl) phosphate
SMILESC=CC(N)OP(=O)(OC(N)C=C)OC(N)C=C
InChIInChI=1S/C9H18N3O4P/c1-4-7(10)14-17(13,15-8(11)5-2)16-9(12)6-3/h4-9H,1-3,10-12H2
InChIKeyCANLTJWJJCGJAY-UHFFFAOYSA-N
MW263.23 g/mol
LogP0.56
Rot. Bonds9

About tris(1-aminoprop-2-enyl) phosphate

tris(1-aminoprop-2-enyl) phosphate (PubChem CID 87145012) has the molecular formula C9H18N3O4P and a molecular weight of 263.23 g/mol. Its IUPAC name is tris(1-aminoprop-2-enyl) phosphate.

Molecular Properties

Compound Nametris(1-aminoprop-2-enyl) phosphate
PubChem CID87145012
Molecular FormulaC9H18N3O4P
Molecular Weight263.23 g/mol
Exact Mass263.10
IUPAC Nametris(1-aminoprop-2-enyl) phosphate
SMILESC=CC(N)OP(=O)(OC(N)C=C)OC(N)C=C
InChIInChI=1S/C9H18N3O4P/c1-4-7(10)14-17(13,15-8(11)5-2)16-9(12)6-3/h4-9H,1-3,10-12H2
InChIKeyCANLTJWJJCGJAY-UHFFFAOYSA-N
XLogP0.56
TPSA122.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze tris(1-aminoprop-2-enyl) phosphate 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 tris(1-aminoprop-2-enyl) phosphate?
The IUPAC name of tris(1-aminoprop-2-enyl) phosphate (CID 87145012) is tris(1-aminoprop-2-enyl) phosphate.
What is the SMILES notation for tris(1-aminoprop-2-enyl) phosphate?
The canonical SMILES for tris(1-aminoprop-2-enyl) phosphate is C=CC(N)OP(=O)(OC(N)C=C)OC(N)C=C.
What is the InChIKey of tris(1-aminoprop-2-enyl) phosphate?
The InChIKey is CANLTJWJJCGJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N3O4P/c1-4-7(10)14-17(13,15-8(11)5-2)16-9(12)6-3/h4-9H,1-3,10-12H2.
What are the key properties of tris(1-aminoprop-2-enyl) phosphate?
tris(1-aminoprop-2-enyl) phosphate has a molecular weight of 263.23 g/mol, XLogP of 0.56, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-aminoprop-2-enyl) phosphate is sourced from PubChem (CID 87145012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).