2-ethenyl-4,5-dihydro-1H-imidazole;2-hydroxypropane-1,2,3-tricarboxylic acid

C11H16N2O7 — CID 161377613

IUPAC2-ethenyl-4,5-dihydro-1H-imidazole;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESC=CC1=NCCN1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.C5H8N2/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-5-6-3-4-7-5/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2H,1,3-4H2,(H,6,7)
InChIKeyVRGZFRNRXBWWCR-UHFFFAOYSA-N
MW288.26 g/mol
LogP-1.07
Rot. Bonds6

About 2-ethenyl-4,5-dihydro-1H-imidazole;2-hydroxypropane-1,2,3-tricarboxylic acid

2-ethenyl-4,5-dihydro-1H-imidazole;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 161377613) has the molecular formula C11H16N2O7 and a molecular weight of 288.26 g/mol. Its IUPAC name is 2-ethenyl-4,5-dihydro-1H-imidazole;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Name2-ethenyl-4,5-dihydro-1H-imidazole;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID161377613
Molecular FormulaC11H16N2O7
Molecular Weight288.26 g/mol
Exact Mass288.10
IUPAC Name2-ethenyl-4,5-dihydro-1H-imidazole;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESC=CC1=NCCN1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.C5H8N2/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-5-6-3-4-7-5/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2H,1,3-4H2,(H,6,7)
InChIKeyVRGZFRNRXBWWCR-UHFFFAOYSA-N
XLogP-1.07
TPSA156.52 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 5-1.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethenyl-4,5-dihydro-1H-imidazole;sulfuric acid
CID 22756045
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CID 161178023
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tris(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
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CID 89401463
hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 158473512
silver 2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11587493
CID 173004565
CID 173004565
CID 24997986
CID 24997986
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
CID 163216326
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CID 87148662

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4,5-dihydro-1H-imidazole;2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of 2-ethenyl-4,5-dihydro-1H-imidazole;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 161377613) is 2-ethenyl-4,5-dihydro-1H-imidazole;2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for 2-ethenyl-4,5-dihydro-1H-imidazole;2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for 2-ethenyl-4,5-dihydro-1H-imidazole;2-hydroxypropane-1,2,3-tricarboxylic acid is C=CC1=NCCN1.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of 2-ethenyl-4,5-dihydro-1H-imidazole;2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is VRGZFRNRXBWWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.C5H8N2/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-5-6-3-4-7-5/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2H,1,3-4H2,(H,6,7).
What are the key properties of 2-ethenyl-4,5-dihydro-1H-imidazole;2-hydroxypropane-1,2,3-tricarboxylic acid?
2-ethenyl-4,5-dihydro-1H-imidazole;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 288.26 g/mol, XLogP of -1.07, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4,5-dihydro-1H-imidazole;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 161377613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).