3-methyl-2-propylimidazolidin-4-one

C7H14N2O — CID 83259789

IUPAC3-methyl-2-propylimidazolidin-4-one
SMILESCCCC1NCC(=O)N1C
InChIInChI=1S/C7H14N2O/c1-3-4-6-8-5-7(10)9(6)2/h6,8H,3-5H2,1-2H3
InChIKeyXTXIJXUOVWTHON-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.17
Rot. Bonds2

About 3-methyl-2-propylimidazolidin-4-one

3-methyl-2-propylimidazolidin-4-one (PubChem CID 83259789) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-methyl-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-methyl-2-propylimidazolidin-4-one
PubChem CID83259789
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-methyl-2-propylimidazolidin-4-one
SMILESCCCC1NCC(=O)N1C
InChIInChI=1S/C7H14N2O/c1-3-4-6-8-5-7(10)9(6)2/h6,8H,3-5H2,1-2H3
InChIKeyXTXIJXUOVWTHON-UHFFFAOYSA-N
XLogP0.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylsulfanylethyl)-2-propylimidazolidin-4-one
CID 83257532
3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one
CID 83255892
3-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83242214
2-propyl-3-(1-propylpiperidin-4-yl)imidazolidin-4-one
CID 83254078
3-(3-ethylpentan-2-yl)-2-propylimidazolidin-4-one
CID 83258011
3-[2-(2-methoxyethoxy)ethyl]-2-propylimidazolidin-4-one
CID 83255942
(2R)-2-[(3,5-dimethylphenyl)methyl]-3-methylimidazolidin-4-one
CID 59628903
3-(2-cyclohexyloxyethyl)-2-propylimidazolidin-4-one
CID 83264060
3-[(1-methylpiperidin-2-yl)methyl]-2-propylimidazolidin-4-one
CID 83247955
3-butyl-2-ethylimidazolidin-4-one
CID 83238160
3-(1-methoxypentan-2-yl)-2-propylimidazolidin-4-one
CID 83263990
3-(4-methoxybutan-2-yl)-2-propylimidazolidin-4-one
CID 83259409

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propylimidazolidin-4-one?
The IUPAC name of 3-methyl-2-propylimidazolidin-4-one (CID 83259789) is 3-methyl-2-propylimidazolidin-4-one.
What is the SMILES notation for 3-methyl-2-propylimidazolidin-4-one?
The canonical SMILES for 3-methyl-2-propylimidazolidin-4-one is CCCC1NCC(=O)N1C.
What is the InChIKey of 3-methyl-2-propylimidazolidin-4-one?
The InChIKey is XTXIJXUOVWTHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-4-6-8-5-7(10)9(6)2/h6,8H,3-5H2,1-2H3.
What are the key properties of 3-methyl-2-propylimidazolidin-4-one?
3-methyl-2-propylimidazolidin-4-one has a molecular weight of 142.20 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propylimidazolidin-4-one is sourced from PubChem (CID 83259789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).