(2S)-2-methyl-1,2-dihydroimidazol-5-one

C4H6N2O — CID 91183042

IUPAC(2S)-2-methyl-1,2-dihydroimidazol-5-one
SMILESC[C@@H]1N=CC(=O)N1
InChIInChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2-3H,1H3,(H,6,7)/t3-/m1/s1
InChIKeyWGLRSTDYFMBDHD-GSVOUGTGSA-N
MW98.10 g/mol
LogP-0.47
Rot. Bonds

About (2S)-2-methyl-1,2-dihydroimidazol-5-one

(2S)-2-methyl-1,2-dihydroimidazol-5-one (PubChem CID 91183042) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is (2S)-2-methyl-1,2-dihydroimidazol-5-one.

Molecular Properties

Compound Name(2S)-2-methyl-1,2-dihydroimidazol-5-one
PubChem CID91183042
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Name(2S)-2-methyl-1,2-dihydroimidazol-5-one
SMILESC[C@@H]1N=CC(=O)N1
InChIInChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2-3H,1H3,(H,6,7)/t3-/m1/s1
InChIKeyWGLRSTDYFMBDHD-GSVOUGTGSA-N
XLogP-0.47
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1,2-dihydroimidazol-5-one?
The IUPAC name of (2S)-2-methyl-1,2-dihydroimidazol-5-one (CID 91183042) is (2S)-2-methyl-1,2-dihydroimidazol-5-one.
What is the SMILES notation for (2S)-2-methyl-1,2-dihydroimidazol-5-one?
The canonical SMILES for (2S)-2-methyl-1,2-dihydroimidazol-5-one is C[C@@H]1N=CC(=O)N1.
What is the InChIKey of (2S)-2-methyl-1,2-dihydroimidazol-5-one?
The InChIKey is WGLRSTDYFMBDHD-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2-3H,1H3,(H,6,7)/t3-/m1/s1.
What are the key properties of (2S)-2-methyl-1,2-dihydroimidazol-5-one?
(2S)-2-methyl-1,2-dihydroimidazol-5-one has a molecular weight of 98.10 g/mol, XLogP of -0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1,2-dihydroimidazol-5-one is sourced from PubChem (CID 91183042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).