1-(1-adamantyl)imidazolidin-2-one

C13H20N2O — CID 12777866

IUPAC1-(1-adamantyl)imidazolidin-2-one
SMILESO=C1NCCN1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H20N2O/c16-12-14-1-2-15(12)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,1-8H2,(H,14,16)
InChIKeyAJQSMFZHHUBFHX-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.98
Rot. Bonds1

About 1-(1-adamantyl)imidazolidin-2-one

1-(1-adamantyl)imidazolidin-2-one (PubChem CID 12777866) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(1-adamantyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(1-adamantyl)imidazolidin-2-one
PubChem CID12777866
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(1-adamantyl)imidazolidin-2-one
SMILESO=C1NCCN1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H20N2O/c16-12-14-1-2-15(12)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,1-8H2,(H,14,16)
InChIKeyAJQSMFZHHUBFHX-UHFFFAOYSA-N
XLogP1.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)imidazolidin-2-one?
The IUPAC name of 1-(1-adamantyl)imidazolidin-2-one (CID 12777866) is 1-(1-adamantyl)imidazolidin-2-one.
What is the SMILES notation for 1-(1-adamantyl)imidazolidin-2-one?
The canonical SMILES for 1-(1-adamantyl)imidazolidin-2-one is O=C1NCCN1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)imidazolidin-2-one?
The InChIKey is AJQSMFZHHUBFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c16-12-14-1-2-15(12)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,1-8H2,(H,14,16).
What are the key properties of 1-(1-adamantyl)imidazolidin-2-one?
1-(1-adamantyl)imidazolidin-2-one has a molecular weight of 220.32 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)imidazolidin-2-one is sourced from PubChem (CID 12777866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).