7-(1-adamantyl)-5,7-diazaspiro[3.4]octane-6,8-dione

C16H22N2O2 — CID 81156366

IUPAC7-(1-adamantyl)-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC2(CCC2)C(=O)N1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H22N2O2/c19-13-16(2-1-3-16)17-14(20)18(13)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,1-9H2,(H,17,20)
InChIKeyYXCGOYJDJOXPNB-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.43
Rot. Bonds1

About 7-(1-adamantyl)-5,7-diazaspiro[3.4]octane-6,8-dione

7-(1-adamantyl)-5,7-diazaspiro[3.4]octane-6,8-dione (PubChem CID 81156366) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 7-(1-adamantyl)-5,7-diazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name7-(1-adamantyl)-5,7-diazaspiro[3.4]octane-6,8-dione
PubChem CID81156366
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name7-(1-adamantyl)-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC2(CCC2)C(=O)N1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H22N2O2/c19-13-16(2-1-3-16)17-14(20)18(13)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,1-9H2,(H,17,20)
InChIKeyYXCGOYJDJOXPNB-UHFFFAOYSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(1-adamantyl)-5,7-diazaspiro[3.4]octane-6,8-dione?
The IUPAC name of 7-(1-adamantyl)-5,7-diazaspiro[3.4]octane-6,8-dione (CID 81156366) is 7-(1-adamantyl)-5,7-diazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for 7-(1-adamantyl)-5,7-diazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for 7-(1-adamantyl)-5,7-diazaspiro[3.4]octane-6,8-dione is O=C1NC2(CCC2)C(=O)N1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 7-(1-adamantyl)-5,7-diazaspiro[3.4]octane-6,8-dione?
The InChIKey is YXCGOYJDJOXPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-13-16(2-1-3-16)17-14(20)18(13)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,1-9H2,(H,17,20).
What are the key properties of 7-(1-adamantyl)-5,7-diazaspiro[3.4]octane-6,8-dione?
7-(1-adamantyl)-5,7-diazaspiro[3.4]octane-6,8-dione has a molecular weight of 274.36 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-adamantyl)-5,7-diazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 81156366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).