(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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Related Compounds

(5S)-2,2-dimethyl-5-propan-2-ylimidazolidin-4-one
CID 59884179
2-cyclopropyl-2,5-dimethylimidazolidin-4-one
CID 130684670
3,3,5-trimethylpiperazine-2,6-dione
CID 130597100
(6S,12S,18S,24S)-3,3,6,9,9,12,15,15,18,21,21,24-dodecamethyl-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-octone
CID 177434045
(5S)-2,2-dimethyl-5-[(4-methylphenyl)methyl]imidazolidin-4-one
CID 59884112
(3S,6S,9R,12S,15S)-3,6,9,12,15-pentamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149559
3,4-dimethylpyrrolidine-2,5-dione
CID 3550866
(5S)-5-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethylimidazolidin-4-one
CID 59884066
3,5,5,6,6-pentamethylpiperidin-2-one
CID 138971121
3,5,6,6-tetramethylpiperidin-2-one
CID 170011780
6-cyclopropyl-3,3-dimethylpiperazine-2,5-dione
CID 64883661
ethane;5-methyl-2-sulfanylideneimidazolidin-4-one
CID 142805949

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).