3-cyclobutyl-4-methyl-1H-imidazol-2-one

C8H12N2O — CID 116659027

IUPAC3-cyclobutyl-4-methyl-1H-imidazol-2-one
SMILESCc1c[nH]c(=O)n1C1CCC1
InChIInChI=1S/C8H12N2O/c1-6-5-9-8(11)10(6)7-3-2-4-7/h5,7H,2-4H2,1H3,(H,9,11)
InChIKeyCDSZXEXZTYYNGL-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.21
Rot. Bonds1

About 3-cyclobutyl-4-methyl-1H-imidazol-2-one

3-cyclobutyl-4-methyl-1H-imidazol-2-one (PubChem CID 116659027) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-cyclobutyl-4-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-cyclobutyl-4-methyl-1H-imidazol-2-one
PubChem CID116659027
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-cyclobutyl-4-methyl-1H-imidazol-2-one
SMILESCc1c[nH]c(=O)n1C1CCC1
InChIInChI=1S/C8H12N2O/c1-6-5-9-8(11)10(6)7-3-2-4-7/h5,7H,2-4H2,1H3,(H,9,11)
InChIKeyCDSZXEXZTYYNGL-UHFFFAOYSA-N
XLogP1.21
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Butyl-5-methyl-2-imidazolone
CID 26434
1,5-Dimethyl-1,3-dihydro-2H-imidazol-2-one
CID 19777659
3-ethyl-4-methyl-1H-imidazol-2-one
CID 55287036
Cyclopropyl-5-methyl-1,3-dihydro-imidazol-2-one
CID 55300021
4-methyl-3-propan-2-yl-1H-imidazol-2-one
CID 81446268
3,4-di(propan-2-yl)-1H-imidazol-2-one
CID 81446530
1-Cyclobutyl-3,3-dimethyl-1-prop-1-en-2-ylurea;ethane
CID 144956343
1-Cyclobutyl-3-prop-1-en-2-ylurea;molecular hydrogen
CID 156707696
3-cyclohexyl-4-methyl-1H-imidazol-2-one
CID 10954129
4-methyl-3-propyl-1H-imidazol-2-one
CID 55287836
3-butyl-4-ethyl-1H-imidazol-2-one
CID 81445337
3-butyl-5-methyl-1H-imidazol-2-one
CID 81445510

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-4-methyl-1H-imidazol-2-one?
The IUPAC name of 3-cyclobutyl-4-methyl-1H-imidazol-2-one (CID 116659027) is 3-cyclobutyl-4-methyl-1H-imidazol-2-one.
What is the SMILES notation for 3-cyclobutyl-4-methyl-1H-imidazol-2-one?
The canonical SMILES for 3-cyclobutyl-4-methyl-1H-imidazol-2-one is Cc1c[nH]c(=O)n1C1CCC1.
What is the InChIKey of 3-cyclobutyl-4-methyl-1H-imidazol-2-one?
The InChIKey is CDSZXEXZTYYNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-5-9-8(11)10(6)7-3-2-4-7/h5,7H,2-4H2,1H3,(H,9,11).
What are the key properties of 3-cyclobutyl-4-methyl-1H-imidazol-2-one?
3-cyclobutyl-4-methyl-1H-imidazol-2-one has a molecular weight of 152.20 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-4-methyl-1H-imidazol-2-one is sourced from PubChem (CID 116659027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).