4,4,5,5-tetramethyl-1,3-dioxidoimidazolidin-2-ide

C7H13N2O2-3 — CID 102024338

IUPAC4,4,5,5-tetramethyl-1,3-dioxidoimidazolidin-2-ide
SMILESCC1(C)N([O-])[CH-]N([O-])C1(C)C
InChIInChI=1S/C7H13N2O2/c1-6(2)7(3,4)9(11)5-8(6)10/h5H,1-4H3/q-3
InChIKeySASLHWOXYKUPBP-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.28
Rot. Bonds

About 4,4,5,5-tetramethyl-1,3-dioxidoimidazolidin-2-ide

4,4,5,5-tetramethyl-1,3-dioxidoimidazolidin-2-ide (PubChem CID 102024338) has the molecular formula C7H13N2O2-3 and a molecular weight of 157.19 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-1,3-dioxidoimidazolidin-2-ide.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-1,3-dioxidoimidazolidin-2-ide
PubChem CID102024338
Molecular FormulaC7H13N2O2-3
Molecular Weight157.19 g/mol
Exact Mass157.10
IUPAC Name4,4,5,5-tetramethyl-1,3-dioxidoimidazolidin-2-ide
SMILESCC1(C)N([O-])[CH-]N([O-])C1(C)C
InChIInChI=1S/C7H13N2O2/c1-6(2)7(3,4)9(11)5-8(6)10/h5H,1-4H3/q-3
InChIKeySASLHWOXYKUPBP-UHFFFAOYSA-N
XLogP1.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-1,3-dioxidoimidazolidin-2-ide?
The IUPAC name of 4,4,5,5-tetramethyl-1,3-dioxidoimidazolidin-2-ide (CID 102024338) is 4,4,5,5-tetramethyl-1,3-dioxidoimidazolidin-2-ide.
What is the SMILES notation for 4,4,5,5-tetramethyl-1,3-dioxidoimidazolidin-2-ide?
The canonical SMILES for 4,4,5,5-tetramethyl-1,3-dioxidoimidazolidin-2-ide is CC1(C)N([O-])[CH-]N([O-])C1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-1,3-dioxidoimidazolidin-2-ide?
The InChIKey is SASLHWOXYKUPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N2O2/c1-6(2)7(3,4)9(11)5-8(6)10/h5H,1-4H3/q-3.
What are the key properties of 4,4,5,5-tetramethyl-1,3-dioxidoimidazolidin-2-ide?
4,4,5,5-tetramethyl-1,3-dioxidoimidazolidin-2-ide has a molecular weight of 157.19 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-1,3-dioxidoimidazolidin-2-ide is sourced from PubChem (CID 102024338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).