(3R,8aR)-3-tert-butyl-2,8a-dimethyl-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-1-one

C13H24N2O — CID 71204687

IUPAC(3R,8aR)-3-tert-butyl-2,8a-dimethyl-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-1-one
SMILESCN1C(=O)[C@@]2(C)CCCCN2[C@H]1C(C)(C)C
InChIInChI=1S/C13H24N2O/c1-12(2,3)10-14(5)11(16)13(4)8-6-7-9-15(10)13/h10H,6-9H2,1-5H3/t10-,13+/m0/s1
InChIKeyZDFAUFPGGXMWHY-GXFFZTMASA-N
MW224.35 g/mol
LogP2.08
Rot. Bonds

About (3R,8aR)-3-tert-butyl-2,8a-dimethyl-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-1-one

(3R,8aR)-3-tert-butyl-2,8a-dimethyl-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-1-one (PubChem CID 71204687) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (3R,8aR)-3-tert-butyl-2,8a-dimethyl-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-1-one.

Molecular Properties

Compound Name(3R,8aR)-3-tert-butyl-2,8a-dimethyl-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-1-one
PubChem CID71204687
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(3R,8aR)-3-tert-butyl-2,8a-dimethyl-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-1-one
SMILESCN1C(=O)[C@@]2(C)CCCCN2[C@H]1C(C)(C)C
InChIInChI=1S/C13H24N2O/c1-12(2,3)10-14(5)11(16)13(4)8-6-7-9-15(10)13/h10H,6-9H2,1-5H3/t10-,13+/m0/s1
InChIKeyZDFAUFPGGXMWHY-GXFFZTMASA-N
XLogP2.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,8aR)-3-tert-butyl-2,8a-dimethyl-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-1-one?
The IUPAC name of (3R,8aR)-3-tert-butyl-2,8a-dimethyl-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-1-one (CID 71204687) is (3R,8aR)-3-tert-butyl-2,8a-dimethyl-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-1-one.
What is the SMILES notation for (3R,8aR)-3-tert-butyl-2,8a-dimethyl-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-1-one?
The canonical SMILES for (3R,8aR)-3-tert-butyl-2,8a-dimethyl-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-1-one is CN1C(=O)[C@@]2(C)CCCCN2[C@H]1C(C)(C)C.
What is the InChIKey of (3R,8aR)-3-tert-butyl-2,8a-dimethyl-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-1-one?
The InChIKey is ZDFAUFPGGXMWHY-GXFFZTMASA-N. The full InChI is InChI=1S/C13H24N2O/c1-12(2,3)10-14(5)11(16)13(4)8-6-7-9-15(10)13/h10H,6-9H2,1-5H3/t10-,13+/m0/s1.
What are the key properties of (3R,8aR)-3-tert-butyl-2,8a-dimethyl-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-1-one?
(3R,8aR)-3-tert-butyl-2,8a-dimethyl-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-1-one has a molecular weight of 224.35 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8aR)-3-tert-butyl-2,8a-dimethyl-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-1-one is sourced from PubChem (CID 71204687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).