1-ethyl-4-hydroxy-9-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-8-one

C15H19NO2 — CID 176915375

IUPAC1-ethyl-4-hydroxy-9-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-8-one
SMILESCCC12CCCCN(C1)C(=O)c1ccc(O)cc12
InChIInChI=1S/C15H19NO2/c1-2-15-7-3-4-8-16(10-15)14(18)12-6-5-11(17)9-13(12)15/h5-6,9,17H,2-4,7-8,10H2,1H3
InChIKeyNTZXABVYVRWEAW-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.68
Rot. Bonds1

About 1-ethyl-4-hydroxy-9-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-8-one

1-ethyl-4-hydroxy-9-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-8-one (PubChem CID 176915375) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-9-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-8-one.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-9-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-8-one
PubChem CID176915375
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-ethyl-4-hydroxy-9-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-8-one
SMILESCCC12CCCCN(C1)C(=O)c1ccc(O)cc12
InChIInChI=1S/C15H19NO2/c1-2-15-7-3-4-8-16(10-15)14(18)12-6-5-11(17)9-13(12)15/h5-6,9,17H,2-4,7-8,10H2,1H3
InChIKeyNTZXABVYVRWEAW-UHFFFAOYSA-N
XLogP2.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-9-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-8-one?
The IUPAC name of 1-ethyl-4-hydroxy-9-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-8-one (CID 176915375) is 1-ethyl-4-hydroxy-9-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-8-one.
What is the SMILES notation for 1-ethyl-4-hydroxy-9-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-8-one?
The canonical SMILES for 1-ethyl-4-hydroxy-9-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-8-one is CCC12CCCCN(C1)C(=O)c1ccc(O)cc12.
What is the InChIKey of 1-ethyl-4-hydroxy-9-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-8-one?
The InChIKey is NTZXABVYVRWEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-15-7-3-4-8-16(10-15)14(18)12-6-5-11(17)9-13(12)15/h5-6,9,17H,2-4,7-8,10H2,1H3.
What are the key properties of 1-ethyl-4-hydroxy-9-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-8-one?
1-ethyl-4-hydroxy-9-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-8-one has a molecular weight of 245.32 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-9-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-8-one is sourced from PubChem (CID 176915375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).