ethane;3-propan-2-yl-1H-imidazol-2-one

C8H16N2O — CID 176945016

IUPACethane;3-propan-2-yl-1H-imidazol-2-one
SMILESCC.CC(C)n1cc[nH]c1=O
InChIInChI=1S/C6H10N2O.C2H6/c1-5(2)8-4-3-7-6(8)9;1-2/h3-5H,1-2H3,(H,7,9);1-2H3
InChIKeyZQIUTGGNFYQRHV-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.78
Rot. Bonds1

About ethane;3-propan-2-yl-1H-imidazol-2-one

ethane;3-propan-2-yl-1H-imidazol-2-one (PubChem CID 176945016) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is ethane;3-propan-2-yl-1H-imidazol-2-one.

Molecular Properties

Compound Nameethane;3-propan-2-yl-1H-imidazol-2-one
PubChem CID176945016
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Nameethane;3-propan-2-yl-1H-imidazol-2-one
SMILESCC.CC(C)n1cc[nH]c1=O
InChIInChI=1S/C6H10N2O.C2H6/c1-5(2)8-4-3-7-6(8)9;1-2/h3-5H,1-2H3,(H,7,9);1-2H3
InChIKeyZQIUTGGNFYQRHV-UHFFFAOYSA-N
XLogP1.78
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-propan-2-yl-1H-imidazol-2-one?
The IUPAC name of ethane;3-propan-2-yl-1H-imidazol-2-one (CID 176945016) is ethane;3-propan-2-yl-1H-imidazol-2-one.
What is the SMILES notation for ethane;3-propan-2-yl-1H-imidazol-2-one?
The canonical SMILES for ethane;3-propan-2-yl-1H-imidazol-2-one is CC.CC(C)n1cc[nH]c1=O.
What is the InChIKey of ethane;3-propan-2-yl-1H-imidazol-2-one?
The InChIKey is ZQIUTGGNFYQRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.C2H6/c1-5(2)8-4-3-7-6(8)9;1-2/h3-5H,1-2H3,(H,7,9);1-2H3.
What are the key properties of ethane;3-propan-2-yl-1H-imidazol-2-one?
ethane;3-propan-2-yl-1H-imidazol-2-one has a molecular weight of 156.23 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-propan-2-yl-1H-imidazol-2-one is sourced from PubChem (CID 176945016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).