ethane;3-methyl-1H-imidazol-2-one

C6H12N2O — CID 90755181

IUPACethane;3-methyl-1H-imidazol-2-one
SMILESCC.Cn1cc[nH]c1=O
InChIInChI=1S/C4H6N2O.C2H6/c1-6-3-2-5-4(6)7;1-2/h2-3H,1H3,(H,5,7);1-2H3
InChIKeyVECJSNSMFQJSSD-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.74
Rot. Bonds

About ethane;3-methyl-1H-imidazol-2-one

ethane;3-methyl-1H-imidazol-2-one (PubChem CID 90755181) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is ethane;3-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Nameethane;3-methyl-1H-imidazol-2-one
PubChem CID90755181
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Nameethane;3-methyl-1H-imidazol-2-one
SMILESCC.Cn1cc[nH]c1=O
InChIInChI=1S/C4H6N2O.C2H6/c1-6-3-2-5-4(6)7;1-2/h2-3H,1H3,(H,5,7);1-2H3
InChIKeyVECJSNSMFQJSSD-UHFFFAOYSA-N
XLogP0.74
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1H-imidazol-2-one?
The IUPAC name of ethane;3-methyl-1H-imidazol-2-one (CID 90755181) is ethane;3-methyl-1H-imidazol-2-one.
What is the SMILES notation for ethane;3-methyl-1H-imidazol-2-one?
The canonical SMILES for ethane;3-methyl-1H-imidazol-2-one is CC.Cn1cc[nH]c1=O.
What is the InChIKey of ethane;3-methyl-1H-imidazol-2-one?
The InChIKey is VECJSNSMFQJSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O.C2H6/c1-6-3-2-5-4(6)7;1-2/h2-3H,1H3,(H,5,7);1-2H3.
What are the key properties of ethane;3-methyl-1H-imidazol-2-one?
ethane;3-methyl-1H-imidazol-2-one has a molecular weight of 128.17 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1H-imidazol-2-one is sourced from PubChem (CID 90755181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).