phosphane;1-prop-2-enylimidazole

C6H11N2P — CID 174916196

IUPACphosphane;1-prop-2-enylimidazole
SMILESC=CCn1ccnc1.P
InChIInChI=1S/C6H8N2.H3P/c1-2-4-8-5-3-7-6-8;/h2-3,5-6H,1,4H2;1H3
InChIKeyYVGUFIONEZDUPQ-UHFFFAOYSA-N
MW142.14 g/mol
LogP1.13
Rot. Bonds2

About phosphane;1-prop-2-enylimidazole

phosphane;1-prop-2-enylimidazole (PubChem CID 174916196) has the molecular formula C6H11N2P and a molecular weight of 142.14 g/mol. Its IUPAC name is phosphane;1-prop-2-enylimidazole.

Molecular Properties

Compound Namephosphane;1-prop-2-enylimidazole
PubChem CID174916196
Molecular FormulaC6H11N2P
Molecular Weight142.14 g/mol
Exact Mass142.07
IUPAC Namephosphane;1-prop-2-enylimidazole
SMILESC=CCn1ccnc1.P
InChIInChI=1S/C6H8N2.H3P/c1-2-4-8-5-3-7-6-8;/h2-3,5-6H,1,4H2;1H3
InChIKeyYVGUFIONEZDUPQ-UHFFFAOYSA-N
XLogP1.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.14
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl dihydrogen phosphate;bis(1-prop-2-enylimidazole)
CID 173050176
1-[(Z)-but-2-enyl]imidazole
CID 45087139
1-(3-fluoroprop-2-enyl)imidazole
CID 175465451
1-(2-prop-2-enoxyethyl)imidazole
CID 141049243
1-but-3-enylimidazole;formic acid
CID 173073121
1-ethyl-3-methylimidazol-3-ium;1-prop-2-enylimidazole;thiocyanic acid;isothiocyanate
CID 173137774
1-[[(1R,2S)-2-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole
CID 118636677
N-ethenyl-3-imidazol-1-ylpropan-1-amine
CID 143541256
1-ethylimidazole;hydroiodide
CID 66751695
copper;1-ethylimidazole
CID 118057388
1-ethenylimidazole;2-imidazol-1-ylethanol
CID 161193576
N-(2-imidazol-1-ylethyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106569292

Frequently Asked Questions

What is the IUPAC name of phosphane;1-prop-2-enylimidazole?
The IUPAC name of phosphane;1-prop-2-enylimidazole (CID 174916196) is phosphane;1-prop-2-enylimidazole.
What is the SMILES notation for phosphane;1-prop-2-enylimidazole?
The canonical SMILES for phosphane;1-prop-2-enylimidazole is C=CCn1ccnc1.P.
What is the InChIKey of phosphane;1-prop-2-enylimidazole?
The InChIKey is YVGUFIONEZDUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.H3P/c1-2-4-8-5-3-7-6-8;/h2-3,5-6H,1,4H2;1H3.
What are the key properties of phosphane;1-prop-2-enylimidazole?
phosphane;1-prop-2-enylimidazole has a molecular weight of 142.14 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphane;1-prop-2-enylimidazole is sourced from PubChem (CID 174916196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).