2-(5-hydroxy-2-adamantyl)-8a-methyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one

C18H28N2O2 — CID 44599218

IUPAC2-(5-hydroxy-2-adamantyl)-8a-methyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one
SMILESCC12CCCCN1C(=O)N(C1C3CC4CC1CC(O)(C4)C3)C2
InChIInChI=1S/C18H28N2O2/c1-17-4-2-3-5-20(17)16(21)19(11-17)15-13-6-12-7-14(15)10-18(22,8-12)9-13/h12-15,22H,2-11H2,1H3
InChIKeyBZYKSYQBOQLCDD-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.61
Rot. Bonds1

About 2-(5-hydroxy-2-adamantyl)-8a-methyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one

2-(5-hydroxy-2-adamantyl)-8a-methyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one (PubChem CID 44599218) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-(5-hydroxy-2-adamantyl)-8a-methyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name2-(5-hydroxy-2-adamantyl)-8a-methyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one
PubChem CID44599218
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-(5-hydroxy-2-adamantyl)-8a-methyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one
SMILESCC12CCCCN1C(=O)N(C1C3CC4CC1CC(O)(C4)C3)C2
InChIInChI=1S/C18H28N2O2/c1-17-4-2-3-5-20(17)16(21)19(11-17)15-13-6-12-7-14(15)10-18(22,8-12)9-13/h12-15,22H,2-11H2,1H3
InChIKeyBZYKSYQBOQLCDD-UHFFFAOYSA-N
XLogP2.61
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-2-adamantyl)-8a-methyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one?
The IUPAC name of 2-(5-hydroxy-2-adamantyl)-8a-methyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one (CID 44599218) is 2-(5-hydroxy-2-adamantyl)-8a-methyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 2-(5-hydroxy-2-adamantyl)-8a-methyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 2-(5-hydroxy-2-adamantyl)-8a-methyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one is CC12CCCCN1C(=O)N(C1C3CC4CC1CC(O)(C4)C3)C2.
What is the InChIKey of 2-(5-hydroxy-2-adamantyl)-8a-methyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one?
The InChIKey is BZYKSYQBOQLCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-17-4-2-3-5-20(17)16(21)19(11-17)15-13-6-12-7-14(15)10-18(22,8-12)9-13/h12-15,22H,2-11H2,1H3.
What are the key properties of 2-(5-hydroxy-2-adamantyl)-8a-methyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one?
2-(5-hydroxy-2-adamantyl)-8a-methyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one has a molecular weight of 304.43 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-2-adamantyl)-8a-methyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 44599218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).