1-(adamantane-1-carbonyl)imidazolidin-2-one

C14H20N2O2 — CID 3238563

IUPAC1-(adamantane-1-carbonyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H20N2O2/c17-12(16-2-1-15-13(16)18)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,1-8H2,(H,15,18)
InChIKeyPIGYEPVUFUUEQS-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.75
Rot. Bonds1

About 1-(adamantane-1-carbonyl)imidazolidin-2-one

1-(adamantane-1-carbonyl)imidazolidin-2-one (PubChem CID 3238563) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(adamantane-1-carbonyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(adamantane-1-carbonyl)imidazolidin-2-one
PubChem CID3238563
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(adamantane-1-carbonyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H20N2O2/c17-12(16-2-1-15-13(16)18)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,1-8H2,(H,15,18)
InChIKeyPIGYEPVUFUUEQS-UHFFFAOYSA-N
XLogP1.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(adamantane-1-carbonyl)imidazolidin-2-one?
The IUPAC name of 1-(adamantane-1-carbonyl)imidazolidin-2-one (CID 3238563) is 1-(adamantane-1-carbonyl)imidazolidin-2-one.
What is the SMILES notation for 1-(adamantane-1-carbonyl)imidazolidin-2-one?
The canonical SMILES for 1-(adamantane-1-carbonyl)imidazolidin-2-one is O=C1NCCN1C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(adamantane-1-carbonyl)imidazolidin-2-one?
The InChIKey is PIGYEPVUFUUEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-12(16-2-1-15-13(16)18)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,1-8H2,(H,15,18).
What are the key properties of 1-(adamantane-1-carbonyl)imidazolidin-2-one?
1-(adamantane-1-carbonyl)imidazolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(adamantane-1-carbonyl)imidazolidin-2-one is sourced from PubChem (CID 3238563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).