4-(2-hydroxyethyl)-4-azatricyclo[8.4.0.02,6]tetradeca-1,11,13-triene-3,5-dione

C15H17NO3 — CID 56621041

IUPAC4-(2-hydroxyethyl)-4-azatricyclo[8.4.0.02,6]tetradeca-1,11,13-triene-3,5-dione
SMILESO=C1C2=C3C=CC=CC3CCCC2C(=O)N1CCO
InChIInChI=1S/C15H17NO3/c17-9-8-16-14(18)12-7-3-5-10-4-1-2-6-11(10)13(12)15(16)19/h1-2,4,6,10,12,17H,3,5,7-9H2
InChIKeyYUNJBGPXZPCYPF-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.19
Rot. Bonds2

About 4-(2-hydroxyethyl)-4-azatricyclo[8.4.0.02,6]tetradeca-1,11,13-triene-3,5-dione

4-(2-hydroxyethyl)-4-azatricyclo[8.4.0.02,6]tetradeca-1,11,13-triene-3,5-dione (PubChem CID 56621041) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-4-azatricyclo[8.4.0.02,6]tetradeca-1,11,13-triene-3,5-dione.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-4-azatricyclo[8.4.0.02,6]tetradeca-1,11,13-triene-3,5-dione
PubChem CID56621041
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name4-(2-hydroxyethyl)-4-azatricyclo[8.4.0.02,6]tetradeca-1,11,13-triene-3,5-dione
SMILESO=C1C2=C3C=CC=CC3CCCC2C(=O)N1CCO
InChIInChI=1S/C15H17NO3/c17-9-8-16-14(18)12-7-3-5-10-4-1-2-6-11(10)13(12)15(16)19/h1-2,4,6,10,12,17H,3,5,7-9H2
InChIKeyYUNJBGPXZPCYPF-UHFFFAOYSA-N
XLogP1.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-4-azatricyclo[8.4.0.02,6]tetradeca-1,11,13-triene-3,5-dione?
The IUPAC name of 4-(2-hydroxyethyl)-4-azatricyclo[8.4.0.02,6]tetradeca-1,11,13-triene-3,5-dione (CID 56621041) is 4-(2-hydroxyethyl)-4-azatricyclo[8.4.0.02,6]tetradeca-1,11,13-triene-3,5-dione.
What is the SMILES notation for 4-(2-hydroxyethyl)-4-azatricyclo[8.4.0.02,6]tetradeca-1,11,13-triene-3,5-dione?
The canonical SMILES for 4-(2-hydroxyethyl)-4-azatricyclo[8.4.0.02,6]tetradeca-1,11,13-triene-3,5-dione is O=C1C2=C3C=CC=CC3CCCC2C(=O)N1CCO.
What is the InChIKey of 4-(2-hydroxyethyl)-4-azatricyclo[8.4.0.02,6]tetradeca-1,11,13-triene-3,5-dione?
The InChIKey is YUNJBGPXZPCYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-9-8-16-14(18)12-7-3-5-10-4-1-2-6-11(10)13(12)15(16)19/h1-2,4,6,10,12,17H,3,5,7-9H2.
What are the key properties of 4-(2-hydroxyethyl)-4-azatricyclo[8.4.0.02,6]tetradeca-1,11,13-triene-3,5-dione?
4-(2-hydroxyethyl)-4-azatricyclo[8.4.0.02,6]tetradeca-1,11,13-triene-3,5-dione has a molecular weight of 259.31 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-4-azatricyclo[8.4.0.02,6]tetradeca-1,11,13-triene-3,5-dione is sourced from PubChem (CID 56621041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).