3-[(4-methyloxan-4-yl)methyl]-2-propylimidazolidin-4-one

C13H24N2O2 — CID 114125447

IUPAC3-[(4-methyloxan-4-yl)methyl]-2-propylimidazolidin-4-one
SMILESCCCC1NCC(=O)N1CC1(C)CCOCC1
InChIInChI=1S/C13H24N2O2/c1-3-4-11-14-9-12(16)15(11)10-13(2)5-7-17-8-6-13/h11,14H,3-10H2,1-2H3
InChIKeyMJOIMQCHUKRPJB-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.36
Rot. Bonds4

About 3-[(4-methyloxan-4-yl)methyl]-2-propylimidazolidin-4-one

3-[(4-methyloxan-4-yl)methyl]-2-propylimidazolidin-4-one (PubChem CID 114125447) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[(4-methyloxan-4-yl)methyl]-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-[(4-methyloxan-4-yl)methyl]-2-propylimidazolidin-4-one
PubChem CID114125447
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-[(4-methyloxan-4-yl)methyl]-2-propylimidazolidin-4-one
SMILESCCCC1NCC(=O)N1CC1(C)CCOCC1
InChIInChI=1S/C13H24N2O2/c1-3-4-11-14-9-12(16)15(11)10-13(2)5-7-17-8-6-13/h11,14H,3-10H2,1-2H3
InChIKeyMJOIMQCHUKRPJB-UHFFFAOYSA-N
XLogP1.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[(3-methyloxolan-3-yl)methyl]imidazolidin-4-one
CID 130854723
3-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83242214
3-(2-methylsulfanylethyl)-2-propylimidazolidin-4-one
CID 83257532
3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one
CID 83255892
5-butyl-3-[(4-methyloxan-4-yl)methyl]imidazolidin-4-one
CID 114125414
3-methyl-2-propylimidazolidin-4-one
CID 83259789
3-[2-(2-methoxyethoxy)ethyl]-2-propylimidazolidin-4-one
CID 83255942
3-(2-cyclohexyloxyethyl)-2-propylimidazolidin-4-one
CID 83264060
3-[(1-methylpiperidin-2-yl)methyl]-2-propylimidazolidin-4-one
CID 83247955
2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83271159
3-butyl-2-ethylimidazolidin-4-one
CID 83238160
2-cyclopentyl-3-[(1-methylcyclopentyl)methyl]-5-propylimidazolidin-4-one
CID 83262733

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyloxan-4-yl)methyl]-2-propylimidazolidin-4-one?
The IUPAC name of 3-[(4-methyloxan-4-yl)methyl]-2-propylimidazolidin-4-one (CID 114125447) is 3-[(4-methyloxan-4-yl)methyl]-2-propylimidazolidin-4-one.
What is the SMILES notation for 3-[(4-methyloxan-4-yl)methyl]-2-propylimidazolidin-4-one?
The canonical SMILES for 3-[(4-methyloxan-4-yl)methyl]-2-propylimidazolidin-4-one is CCCC1NCC(=O)N1CC1(C)CCOCC1.
What is the InChIKey of 3-[(4-methyloxan-4-yl)methyl]-2-propylimidazolidin-4-one?
The InChIKey is MJOIMQCHUKRPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-4-11-14-9-12(16)15(11)10-13(2)5-7-17-8-6-13/h11,14H,3-10H2,1-2H3.
What are the key properties of 3-[(4-methyloxan-4-yl)methyl]-2-propylimidazolidin-4-one?
3-[(4-methyloxan-4-yl)methyl]-2-propylimidazolidin-4-one has a molecular weight of 240.35 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyloxan-4-yl)methyl]-2-propylimidazolidin-4-one is sourced from PubChem (CID 114125447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).