3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one

C6H9N3O2 — CID 82403075

IUPAC3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one
SMILESCc1cn(C(=O)CN)c(=O)[nH]1
InChIInChI=1S/C6H9N3O2/c1-4-3-9(5(10)2-7)6(11)8-4/h3H,2,7H2,1H3,(H,8,11)
InChIKeyWGJIMEFLXQEPCE-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.92
Rot. Bonds1

About 3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one

3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one (PubChem CID 82403075) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one
PubChem CID82403075
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one
SMILESCc1cn(C(=O)CN)c(=O)[nH]1
InChIInChI=1S/C6H9N3O2/c1-4-3-9(5(10)2-7)6(11)8-4/h3H,2,7H2,1H3,(H,8,11)
InChIKeyWGJIMEFLXQEPCE-UHFFFAOYSA-N
XLogP-0.92
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Methyl-2-oxo-1,3-dihydroimidazol-1-yl)acetamide
CID 19350748
2-(3,4-Dimethyl-2-oxoimidazol-1-yl)acetamide
CID 19350750
1-Prop-1-enylimidazolidine-2,4-dione
CID 141229869
4-(Aminomethyl)-6-methyl-1,2-dihydropyrazin-3-one
CID 142703620
N-[1-(2,4-dioxoimidazolidin-1-yl)ethyl]-N-[2-(methylamino)prop-2-enyl]acetamide
CID 144812209
2-(4-methyl-2-oxo-1H-imidazol-3-yl)acetamide;hydrochloride
CID 82403072
2-(4-methyl-2-oxo-1H-imidazol-3-yl)acetamide
CID 82403073
3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one;hydrochloride
CID 82403074
3-(2-aminoethyl)-5-methyl-1H-imidazol-2-one
CID 96637132
3-acetyl-5-methyl-1H-imidazol-2-one
CID 101123144
N-(2-aminoethyl)-N-[[(E)-prop-1-enyl]carbamoyl]acetamide
CID 108909643
N-(2-aminoethyl)-N-(prop-1-en-2-ylcarbamoyl)acetamide
CID 108910384

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one?
The IUPAC name of 3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one (CID 82403075) is 3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one.
What is the SMILES notation for 3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one?
The canonical SMILES for 3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one is Cc1cn(C(=O)CN)c(=O)[nH]1.
What is the InChIKey of 3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one?
The InChIKey is WGJIMEFLXQEPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-4-3-9(5(10)2-7)6(11)8-4/h3H,2,7H2,1H3,(H,8,11).
What are the key properties of 3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one?
3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one has a molecular weight of 155.16 g/mol, XLogP of -0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one is sourced from PubChem (CID 82403075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).