3-cycloheptyl-2-propan-2-ylimidazolidin-4-one

C13H24N2O — CID 83243721

IUPAC3-cycloheptyl-2-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NCC(=O)N1C1CCCCCC1
InChIInChI=1S/C13H24N2O/c1-10(2)13-14-9-12(16)15(13)11-7-5-3-4-6-8-11/h10-11,13-14H,3-9H2,1-2H3
InChIKeyRZEGDKYLAXBFMK-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.12
Rot. Bonds2

About 3-cycloheptyl-2-propan-2-ylimidazolidin-4-one

3-cycloheptyl-2-propan-2-ylimidazolidin-4-one (PubChem CID 83243721) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-cycloheptyl-2-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-cycloheptyl-2-propan-2-ylimidazolidin-4-one
PubChem CID83243721
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-cycloheptyl-2-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NCC(=O)N1C1CCCCCC1
InChIInChI=1S/C13H24N2O/c1-10(2)13-14-9-12(16)15(13)11-7-5-3-4-6-8-11/h10-11,13-14H,3-9H2,1-2H3
InChIKeyRZEGDKYLAXBFMK-UHFFFAOYSA-N
XLogP2.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-2-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-cycloheptyl-2-propan-2-ylimidazolidin-4-one (CID 83243721) is 3-cycloheptyl-2-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-cycloheptyl-2-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-cycloheptyl-2-propan-2-ylimidazolidin-4-one is CC(C)C1NCC(=O)N1C1CCCCCC1.
What is the InChIKey of 3-cycloheptyl-2-propan-2-ylimidazolidin-4-one?
The InChIKey is RZEGDKYLAXBFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(2)13-14-9-12(16)15(13)11-7-5-3-4-6-8-11/h10-11,13-14H,3-9H2,1-2H3.
What are the key properties of 3-cycloheptyl-2-propan-2-ylimidazolidin-4-one?
3-cycloheptyl-2-propan-2-ylimidazolidin-4-one has a molecular weight of 224.35 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-2-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83243721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).