3-(3-methoxy-2,2-dimethylcyclobutyl)-5-propylimidazolidin-4-one

C13H24N2O2 — CID 114120719

IUPAC3-(3-methoxy-2,2-dimethylcyclobutyl)-5-propylimidazolidin-4-one
SMILESCCCC1NCN(C2CC(OC)C2(C)C)C1=O
InChIInChI=1S/C13H24N2O2/c1-5-6-9-12(16)15(8-14-9)10-7-11(17-4)13(10,2)3/h9-11,14H,5-8H2,1-4H3
InChIKeyXPVLEFQYPBPYKM-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.36
Rot. Bonds4

About 3-(3-methoxy-2,2-dimethylcyclobutyl)-5-propylimidazolidin-4-one

3-(3-methoxy-2,2-dimethylcyclobutyl)-5-propylimidazolidin-4-one (PubChem CID 114120719) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-(3-methoxy-2,2-dimethylcyclobutyl)-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3-methoxy-2,2-dimethylcyclobutyl)-5-propylimidazolidin-4-one
PubChem CID114120719
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-(3-methoxy-2,2-dimethylcyclobutyl)-5-propylimidazolidin-4-one
SMILESCCCC1NCN(C2CC(OC)C2(C)C)C1=O
InChIInChI=1S/C13H24N2O2/c1-5-6-9-12(16)15(8-14-9)10-7-11(17-4)13(10,2)3/h9-11,14H,5-8H2,1-4H3
InChIKeyXPVLEFQYPBPYKM-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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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-2,2-dimethylcyclobutyl)-5-propylimidazolidin-4-one?
The IUPAC name of 3-(3-methoxy-2,2-dimethylcyclobutyl)-5-propylimidazolidin-4-one (CID 114120719) is 3-(3-methoxy-2,2-dimethylcyclobutyl)-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-(3-methoxy-2,2-dimethylcyclobutyl)-5-propylimidazolidin-4-one?
The canonical SMILES for 3-(3-methoxy-2,2-dimethylcyclobutyl)-5-propylimidazolidin-4-one is CCCC1NCN(C2CC(OC)C2(C)C)C1=O.
What is the InChIKey of 3-(3-methoxy-2,2-dimethylcyclobutyl)-5-propylimidazolidin-4-one?
The InChIKey is XPVLEFQYPBPYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-5-6-9-12(16)15(8-14-9)10-7-11(17-4)13(10,2)3/h9-11,14H,5-8H2,1-4H3.
What are the key properties of 3-(3-methoxy-2,2-dimethylcyclobutyl)-5-propylimidazolidin-4-one?
3-(3-methoxy-2,2-dimethylcyclobutyl)-5-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-(3-methoxy-2,2-dimethylcyclobutyl)-5-propylimidazolidin-4-one is sourced from PubChem (CID 114120719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).