phthalate;1,2,3,4-tetramethylimidazolidin-1-ium

C15H21N2O4- — CID 86625657

IUPACphthalate;1,2,3,4-tetramethylimidazolidin-1-ium
SMILESCC1C[NH+](C)C(C)N1C.O=C([O-])c1ccccc1C(=O)[O-]
InChIInChI=1S/C8H6O4.C7H16N2/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-6-5-8(3)7(2)9(6)4/h1-4H,(H,9,10)(H,11,12);6-7H,5H2,1-4H3/p-1
InChIKeySJNBSCSARPOURM-UHFFFAOYSA-M
MW293.34 g/mol
LogP-2.41
Rot. Bonds2

About phthalate;1,2,3,4-tetramethylimidazolidin-1-ium

phthalate;1,2,3,4-tetramethylimidazolidin-1-ium (PubChem CID 86625657) has the molecular formula C15H21N2O4- and a molecular weight of 293.34 g/mol. Its IUPAC name is phthalate;1,2,3,4-tetramethylimidazolidin-1-ium.

Molecular Properties

Compound Namephthalate;1,2,3,4-tetramethylimidazolidin-1-ium
PubChem CID86625657
Molecular FormulaC15H21N2O4-
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Namephthalate;1,2,3,4-tetramethylimidazolidin-1-ium
SMILESCC1C[NH+](C)C(C)N1C.O=C([O-])c1ccccc1C(=O)[O-]
InChIInChI=1S/C8H6O4.C7H16N2/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-6-5-8(3)7(2)9(6)4/h1-4H,(H,9,10)(H,11,12);6-7H,5H2,1-4H3/p-1
InChIKeySJNBSCSARPOURM-UHFFFAOYSA-M
XLogP-2.41
TPSA87.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 5-2.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 74765934
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Diisopropylammonium hydrogen phthalate
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Diisopropyl ammonium phthalate
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Phthalate;bis(1,2,3-trimethyl-1,3-diazinan-1-ium)
CID 21185432
Phthalate;bis(tripropylazanium)
CID 21902902
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CID 21903000

Frequently Asked Questions

What is the IUPAC name of phthalate;1,2,3,4-tetramethylimidazolidin-1-ium?
The IUPAC name of phthalate;1,2,3,4-tetramethylimidazolidin-1-ium (CID 86625657) is phthalate;1,2,3,4-tetramethylimidazolidin-1-ium.
What is the SMILES notation for phthalate;1,2,3,4-tetramethylimidazolidin-1-ium?
The canonical SMILES for phthalate;1,2,3,4-tetramethylimidazolidin-1-ium is CC1C[NH+](C)C(C)N1C.O=C([O-])c1ccccc1C(=O)[O-].
What is the InChIKey of phthalate;1,2,3,4-tetramethylimidazolidin-1-ium?
The InChIKey is SJNBSCSARPOURM-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6O4.C7H16N2/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-6-5-8(3)7(2)9(6)4/h1-4H,(H,9,10)(H,11,12);6-7H,5H2,1-4H3/p-1.
What are the key properties of phthalate;1,2,3,4-tetramethylimidazolidin-1-ium?
phthalate;1,2,3,4-tetramethylimidazolidin-1-ium has a molecular weight of 293.34 g/mol, XLogP of -2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phthalate;1,2,3,4-tetramethylimidazolidin-1-ium is sourced from PubChem (CID 86625657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).