(5S)-2,2,5-trimethylimidazolidin-4-one

C6H12N2O — CID 13443913

IUPAC(5S)-2,2,5-trimethylimidazolidin-4-one
SMILESC[C@@H]1NC(C)(C)NC1=O
InChIInChI=1S/C6H12N2O/c1-4-5(9)8-6(2,3)7-4/h4,7H,1-3H3,(H,8,9)/t4-/m0/s1
InChIKeyMXZYOEDOIFPSQW-BYPYZUCNSA-N
MW128.17 g/mol
LogP-0.17
Rot. Bonds

About (5S)-2,2,5-trimethylimidazolidin-4-one

(5S)-2,2,5-trimethylimidazolidin-4-one (PubChem CID 13443913) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (5S)-2,2,5-trimethylimidazolidin-4-one.

Molecular Properties

Compound Name(5S)-2,2,5-trimethylimidazolidin-4-one
PubChem CID13443913
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(5S)-2,2,5-trimethylimidazolidin-4-one
SMILESC[C@@H]1NC(C)(C)NC1=O
InChIInChI=1S/C6H12N2O/c1-4-5(9)8-6(2,3)7-4/h4,7H,1-3H3,(H,8,9)/t4-/m0/s1
InChIKeyMXZYOEDOIFPSQW-BYPYZUCNSA-N
XLogP-0.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-2,2,5-trimethylimidazolidin-4-one?
The IUPAC name of (5S)-2,2,5-trimethylimidazolidin-4-one (CID 13443913) is (5S)-2,2,5-trimethylimidazolidin-4-one.
What is the SMILES notation for (5S)-2,2,5-trimethylimidazolidin-4-one?
The canonical SMILES for (5S)-2,2,5-trimethylimidazolidin-4-one is C[C@@H]1NC(C)(C)NC1=O.
What is the InChIKey of (5S)-2,2,5-trimethylimidazolidin-4-one?
The InChIKey is MXZYOEDOIFPSQW-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4-5(9)8-6(2,3)7-4/h4,7H,1-3H3,(H,8,9)/t4-/m0/s1.
What are the key properties of (5S)-2,2,5-trimethylimidazolidin-4-one?
(5S)-2,2,5-trimethylimidazolidin-4-one has a molecular weight of 128.17 g/mol, XLogP of -0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,2,5-trimethylimidazolidin-4-one is sourced from PubChem (CID 13443913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).