3-ethyltricyclo[5.2.1.03,5]decane;1-imidazo[1,5-a]pyridin-3-ylethanone

C21H28N2O — CID 143721855

IUPAC3-ethyltricyclo[5.2.1.03,5]decane;1-imidazo[1,5-a]pyridin-3-ylethanone
SMILESCC(=O)c1ncc2ccccn12.CCC12CC3CCC(C3)CC1C2
InChIInChI=1S/C12H20.C9H8N2O/c1-2-12-7-10-4-3-9(5-10)6-11(12)8-12;1-7(12)9-10-6-8-4-2-3-5-11(8)9/h9-11H,2-8H2,1H3;2-6H,1H3
InChIKeyCQKFJKYADWRTOQ-UHFFFAOYSA-N
MW324.47 g/mol
LogP5.15
Rot. Bonds2

About 3-ethyltricyclo[5.2.1.03,5]decane;1-imidazo[1,5-a]pyridin-3-ylethanone

3-ethyltricyclo[5.2.1.03,5]decane;1-imidazo[1,5-a]pyridin-3-ylethanone (PubChem CID 143721855) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-ethyltricyclo[5.2.1.03,5]decane;1-imidazo[1,5-a]pyridin-3-ylethanone.

Molecular Properties

Compound Name3-ethyltricyclo[5.2.1.03,5]decane;1-imidazo[1,5-a]pyridin-3-ylethanone
PubChem CID143721855
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name3-ethyltricyclo[5.2.1.03,5]decane;1-imidazo[1,5-a]pyridin-3-ylethanone
SMILESCC(=O)c1ncc2ccccn12.CCC12CC3CCC(C3)CC1C2
InChIInChI=1S/C12H20.C9H8N2O/c1-2-12-7-10-4-3-9(5-10)6-11(12)8-12;1-7(12)9-10-6-8-4-2-3-5-11(8)9/h9-11H,2-8H2,1H3;2-6H,1H3
InChIKeyCQKFJKYADWRTOQ-UHFFFAOYSA-N
XLogP5.15
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyltricyclo[5.2.1.03,5]decane;1-imidazo[1,5-a]pyridin-3-ylethanone?
The IUPAC name of 3-ethyltricyclo[5.2.1.03,5]decane;1-imidazo[1,5-a]pyridin-3-ylethanone (CID 143721855) is 3-ethyltricyclo[5.2.1.03,5]decane;1-imidazo[1,5-a]pyridin-3-ylethanone.
What is the SMILES notation for 3-ethyltricyclo[5.2.1.03,5]decane;1-imidazo[1,5-a]pyridin-3-ylethanone?
The canonical SMILES for 3-ethyltricyclo[5.2.1.03,5]decane;1-imidazo[1,5-a]pyridin-3-ylethanone is CC(=O)c1ncc2ccccn12.CCC12CC3CCC(C3)CC1C2.
What is the InChIKey of 3-ethyltricyclo[5.2.1.03,5]decane;1-imidazo[1,5-a]pyridin-3-ylethanone?
The InChIKey is CQKFJKYADWRTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20.C9H8N2O/c1-2-12-7-10-4-3-9(5-10)6-11(12)8-12;1-7(12)9-10-6-8-4-2-3-5-11(8)9/h9-11H,2-8H2,1H3;2-6H,1H3.
What are the key properties of 3-ethyltricyclo[5.2.1.03,5]decane;1-imidazo[1,5-a]pyridin-3-ylethanone?
3-ethyltricyclo[5.2.1.03,5]decane;1-imidazo[1,5-a]pyridin-3-ylethanone has a molecular weight of 324.47 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyltricyclo[5.2.1.03,5]decane;1-imidazo[1,5-a]pyridin-3-ylethanone is sourced from PubChem (CID 143721855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).