2-cyclopentyl-3-(2,2-dimethyloxan-4-yl)-5-methylimidazolidin-4-one

C16H28N2O2 — CID 83260627

IUPAC2-cyclopentyl-3-(2,2-dimethyloxan-4-yl)-5-methylimidazolidin-4-one
SMILESCC1NC(C2CCCC2)N(C2CCOC(C)(C)C2)C1=O
InChIInChI=1S/C16H28N2O2/c1-11-15(19)18(13-8-9-20-16(2,3)10-13)14(17-11)12-6-4-5-7-12/h11-14,17H,4-10H2,1-3H3
InChIKeyBOJLKYALVHYDRB-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.28
Rot. Bonds2

About 2-cyclopentyl-3-(2,2-dimethyloxan-4-yl)-5-methylimidazolidin-4-one

2-cyclopentyl-3-(2,2-dimethyloxan-4-yl)-5-methylimidazolidin-4-one (PubChem CID 83260627) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-cyclopentyl-3-(2,2-dimethyloxan-4-yl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-cyclopentyl-3-(2,2-dimethyloxan-4-yl)-5-methylimidazolidin-4-one
PubChem CID83260627
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-cyclopentyl-3-(2,2-dimethyloxan-4-yl)-5-methylimidazolidin-4-one
SMILESCC1NC(C2CCCC2)N(C2CCOC(C)(C)C2)C1=O
InChIInChI=1S/C16H28N2O2/c1-11-15(19)18(13-8-9-20-16(2,3)10-13)14(17-11)12-6-4-5-7-12/h11-14,17H,4-10H2,1-3H3
InChIKeyBOJLKYALVHYDRB-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-(2,2-dimethyloxan-4-yl)-5-methylimidazolidin-4-one?
The IUPAC name of 2-cyclopentyl-3-(2,2-dimethyloxan-4-yl)-5-methylimidazolidin-4-one (CID 83260627) is 2-cyclopentyl-3-(2,2-dimethyloxan-4-yl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 2-cyclopentyl-3-(2,2-dimethyloxan-4-yl)-5-methylimidazolidin-4-one?
The canonical SMILES for 2-cyclopentyl-3-(2,2-dimethyloxan-4-yl)-5-methylimidazolidin-4-one is CC1NC(C2CCCC2)N(C2CCOC(C)(C)C2)C1=O.
What is the InChIKey of 2-cyclopentyl-3-(2,2-dimethyloxan-4-yl)-5-methylimidazolidin-4-one?
The InChIKey is BOJLKYALVHYDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-11-15(19)18(13-8-9-20-16(2,3)10-13)14(17-11)12-6-4-5-7-12/h11-14,17H,4-10H2,1-3H3.
What are the key properties of 2-cyclopentyl-3-(2,2-dimethyloxan-4-yl)-5-methylimidazolidin-4-one?
2-cyclopentyl-3-(2,2-dimethyloxan-4-yl)-5-methylimidazolidin-4-one has a molecular weight of 280.41 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-(2,2-dimethyloxan-4-yl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83260627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).