ethane-1,2-diol;2-ethenylpyridine;bis(2-methylprop-2-enoic acid)

C17H25NO6 — CID 174381680

IUPACethane-1,2-diol;2-ethenylpyridine;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=Cc1ccccn1.OCCO
InChIInChI=1S/C7H7N.2C4H6O2.C2H6O2/c1-2-7-5-3-4-6-8-7;2*1-3(2)4(5)6;3-1-2-4/h2-6H,1H2;2*1H2,2H3,(H,5,6);3-4H,1-2H2
InChIKeyXJFFXOQIPWTVBH-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.99
Rot. Bonds4

About ethane-1,2-diol;2-ethenylpyridine;bis(2-methylprop-2-enoic acid)

ethane-1,2-diol;2-ethenylpyridine;bis(2-methylprop-2-enoic acid) (PubChem CID 174381680) has the molecular formula C17H25NO6 and a molecular weight of 339.39 g/mol. Its IUPAC name is ethane-1,2-diol;2-ethenylpyridine;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Nameethane-1,2-diol;2-ethenylpyridine;bis(2-methylprop-2-enoic acid)
PubChem CID174381680
Molecular FormulaC17H25NO6
Molecular Weight339.39 g/mol
Exact Mass339.17
IUPAC Nameethane-1,2-diol;2-ethenylpyridine;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=Cc1ccccn1.OCCO
InChIInChI=1S/C7H7N.2C4H6O2.C2H6O2/c1-2-7-5-3-4-6-8-7;2*1-3(2)4(5)6;3-1-2-4/h2-6H,1H2;2*1H2,2H3,(H,5,6);3-4H,1-2H2
InChIKeyXJFFXOQIPWTVBH-UHFFFAOYSA-N
XLogP1.99
TPSA127.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-ethenylpyridine;bis(2-methylbuta-1,3-diene)
CID 19427631
2-ethenylpyridine;rhodium
CID 174919762
2-ethenylpyridine;hexahydroiodide
CID 70487032
2-ethenylpyridine;hydrate
CID 67843107
2-ethenylpyridine;hexanoic acid
CID 175076287
2-ethenylpyridine;2-hydroxypropanoate
CID 21427737
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);prop-2-enoic acid;styrene
CID 174785895
2-(diethylamino)ethyl 2-methylprop-2-enoate;2-ethenylpyridine
CID 135260346
2-ethenylpyridine;molecular iodine
CID 56841465
2-methylprop-2-enoic acid;pyridine-2-carboxylic acid
CID 174790121
2-ethenylpyridine;propan-1-amine
CID 174607144
2-ethenylpyridine;methyl hydrogen sulfate
CID 159532626

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;2-ethenylpyridine;bis(2-methylprop-2-enoic acid)?
The IUPAC name of ethane-1,2-diol;2-ethenylpyridine;bis(2-methylprop-2-enoic acid) (CID 174381680) is ethane-1,2-diol;2-ethenylpyridine;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for ethane-1,2-diol;2-ethenylpyridine;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for ethane-1,2-diol;2-ethenylpyridine;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.C=Cc1ccccn1.OCCO.
What is the InChIKey of ethane-1,2-diol;2-ethenylpyridine;bis(2-methylprop-2-enoic acid)?
The InChIKey is XJFFXOQIPWTVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N.2C4H6O2.C2H6O2/c1-2-7-5-3-4-6-8-7;2*1-3(2)4(5)6;3-1-2-4/h2-6H,1H2;2*1H2,2H3,(H,5,6);3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;2-ethenylpyridine;bis(2-methylprop-2-enoic acid)?
ethane-1,2-diol;2-ethenylpyridine;bis(2-methylprop-2-enoic acid) has a molecular weight of 339.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;2-ethenylpyridine;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 174381680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).