prop-2-enyl dihydrogen phosphate;bis(1-prop-2-enylimidazole)

C15H23N4O4P — CID 173050176

IUPACprop-2-enyl dihydrogen phosphate;bis(1-prop-2-enylimidazole)
SMILESC=CCOP(=O)(O)O.C=CCn1ccnc1.C=CCn1ccnc1
InChIInChI=1S/2C6H8N2.C3H7O4P/c2*1-2-4-8-5-3-7-6-8;1-2-3-7-8(4,5)6/h2*2-3,5-6H,1,4H2;2H,1,3H2,(H2,4,5,6)
InChIKeyGPOGWZMOJHMJGT-UHFFFAOYSA-N
MW354.35 g/mol
LogP2.42
Rot. Bonds7

About prop-2-enyl dihydrogen phosphate;bis(1-prop-2-enylimidazole)

prop-2-enyl dihydrogen phosphate;bis(1-prop-2-enylimidazole) (PubChem CID 173050176) has the molecular formula C15H23N4O4P and a molecular weight of 354.35 g/mol. Its IUPAC name is prop-2-enyl dihydrogen phosphate;bis(1-prop-2-enylimidazole).

Molecular Properties

Compound Nameprop-2-enyl dihydrogen phosphate;bis(1-prop-2-enylimidazole)
PubChem CID173050176
Molecular FormulaC15H23N4O4P
Molecular Weight354.35 g/mol
Exact Mass354.15
IUPAC Nameprop-2-enyl dihydrogen phosphate;bis(1-prop-2-enylimidazole)
SMILESC=CCOP(=O)(O)O.C=CCn1ccnc1.C=CCn1ccnc1
InChIInChI=1S/2C6H8N2.C3H7O4P/c2*1-2-4-8-5-3-7-6-8;1-2-3-7-8(4,5)6/h2*2-3,5-6H,1,4H2;2H,1,3H2,(H2,4,5,6)
InChIKeyGPOGWZMOJHMJGT-UHFFFAOYSA-N
XLogP2.42
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

phosphane;1-prop-2-enylimidazole
CID 174916196
1-(2-prop-2-enoxyethyl)imidazole
CID 141049243
carbonochloridic acid;prop-2-enyl dihydrogen phosphate
CID 174647685
1-but-3-enylimidazole;formic acid
CID 173073121
phosphoric acid;1-propylimidazole
CID 159096406
calcium;hydride;(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid
CID 173032370
1-[(Z)-but-2-enyl]imidazole
CID 45087139
1-(3-fluoroprop-2-enyl)imidazole
CID 175465451
methyl 2-ethyl-4-imidazol-1-ylbut-2-enoate
CID 77101269
(E)-4-imidazol-1-yl-N-propan-2-ylbut-2-enamide;molecular hydrogen
CID 144833032
ethyl 2-[3-imidazol-1-ylpropanoyl(prop-2-enyl)amino]acetate
CID 78954883
imidazol-1-yl(methyl)phosphinic acid
CID 59000467

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl dihydrogen phosphate;bis(1-prop-2-enylimidazole)?
The IUPAC name of prop-2-enyl dihydrogen phosphate;bis(1-prop-2-enylimidazole) (CID 173050176) is prop-2-enyl dihydrogen phosphate;bis(1-prop-2-enylimidazole).
What is the SMILES notation for prop-2-enyl dihydrogen phosphate;bis(1-prop-2-enylimidazole)?
The canonical SMILES for prop-2-enyl dihydrogen phosphate;bis(1-prop-2-enylimidazole) is C=CCOP(=O)(O)O.C=CCn1ccnc1.C=CCn1ccnc1.
What is the InChIKey of prop-2-enyl dihydrogen phosphate;bis(1-prop-2-enylimidazole)?
The InChIKey is GPOGWZMOJHMJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H8N2.C3H7O4P/c2*1-2-4-8-5-3-7-6-8;1-2-3-7-8(4,5)6/h2*2-3,5-6H,1,4H2;2H,1,3H2,(H2,4,5,6).
What are the key properties of prop-2-enyl dihydrogen phosphate;bis(1-prop-2-enylimidazole)?
prop-2-enyl dihydrogen phosphate;bis(1-prop-2-enylimidazole) has a molecular weight of 354.35 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl dihydrogen phosphate;bis(1-prop-2-enylimidazole) is sourced from PubChem (CID 173050176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).