3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazol-2-one

C10H17N3O — CID 103126087

IUPAC3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazol-2-one
SMILESCN(C)C1(Cn2cc[nH]c2=O)CCC1
InChIInChI=1S/C10H17N3O/c1-12(2)10(4-3-5-10)8-13-7-6-11-9(13)14/h6-7H,3-5,8H2,1-2H3,(H,11,14)
InChIKeyGRWJCGLMXVIZHC-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.66
Rot. Bonds3

About 3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazol-2-one

3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazol-2-one (PubChem CID 103126087) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazol-2-one
PubChem CID103126087
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazol-2-one
SMILESCN(C)C1(Cn2cc[nH]c2=O)CCC1
InChIInChI=1S/C10H17N3O/c1-12(2)10(4-3-5-10)8-13-7-6-11-9(13)14/h6-7H,3-5,8H2,1-2H3,(H,11,14)
InChIKeyGRWJCGLMXVIZHC-UHFFFAOYSA-N
XLogP0.66
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazol-2-one?
The IUPAC name of 3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazol-2-one (CID 103126087) is 3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazol-2-one is CN(C)C1(Cn2cc[nH]c2=O)CCC1.
What is the InChIKey of 3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazol-2-one?
The InChIKey is GRWJCGLMXVIZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-12(2)10(4-3-5-10)8-13-7-6-11-9(13)14/h6-7H,3-5,8H2,1-2H3,(H,11,14).
What are the key properties of 3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazol-2-one?
3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazol-2-one has a molecular weight of 195.27 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)cyclobutyl]methyl]-1H-imidazol-2-one is sourced from PubChem (CID 103126087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).