2,2-dimethylbutanamide;imidazol-2-one

C9H15N3O2 — CID 158874669

IUPAC2,2-dimethylbutanamide;imidazol-2-one
SMILESCCC(C)(C)C(N)=O.O=C1N=CC=N1
InChIInChI=1S/C6H13NO.C3H2N2O/c1-4-6(2,3)5(7)8;6-3-4-1-2-5-3/h4H2,1-3H3,(H2,7,8);1-2H
InChIKeyJCHAJHBHYUAIEG-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.17
Rot. Bonds2

About 2,2-dimethylbutanamide;imidazol-2-one

2,2-dimethylbutanamide;imidazol-2-one (PubChem CID 158874669) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2,2-dimethylbutanamide;imidazol-2-one.

Molecular Properties

Compound Name2,2-dimethylbutanamide;imidazol-2-one
PubChem CID158874669
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2,2-dimethylbutanamide;imidazol-2-one
SMILESCCC(C)(C)C(N)=O.O=C1N=CC=N1
InChIInChI=1S/C6H13NO.C3H2N2O/c1-4-6(2,3)5(7)8;6-3-4-1-2-5-3/h4H2,1-3H3,(H2,7,8);1-2H
InChIKeyJCHAJHBHYUAIEG-UHFFFAOYSA-N
XLogP1.17
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutanamide;imidazol-2-one?
The IUPAC name of 2,2-dimethylbutanamide;imidazol-2-one (CID 158874669) is 2,2-dimethylbutanamide;imidazol-2-one.
What is the SMILES notation for 2,2-dimethylbutanamide;imidazol-2-one?
The canonical SMILES for 2,2-dimethylbutanamide;imidazol-2-one is CCC(C)(C)C(N)=O.O=C1N=CC=N1.
What is the InChIKey of 2,2-dimethylbutanamide;imidazol-2-one?
The InChIKey is JCHAJHBHYUAIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C3H2N2O/c1-4-6(2,3)5(7)8;6-3-4-1-2-5-3/h4H2,1-3H3,(H2,7,8);1-2H.
What are the key properties of 2,2-dimethylbutanamide;imidazol-2-one?
2,2-dimethylbutanamide;imidazol-2-one has a molecular weight of 197.24 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutanamide;imidazol-2-one is sourced from PubChem (CID 158874669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).