11-(2-hydroxyethyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione

C16H15NO4 — CID 2856883

IUPAC11-(2-hydroxyethyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione
SMILESO=C1CC2c3ccccc3C1C1C(=O)N(CCO)C(=O)C21
InChIInChI=1S/C16H15NO4/c18-6-5-17-15(20)13-10-7-11(19)12(14(13)16(17)21)9-4-2-1-3-8(9)10/h1-4,10,12-14,18H,5-7H2
InChIKeyBYJRWLZLNXNCIP-UHFFFAOYSA-N
MW285.30 g/mol
LogP0.43
Rot. Bonds2

About 11-(2-hydroxyethyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione

11-(2-hydroxyethyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione (PubChem CID 2856883) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 11-(2-hydroxyethyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione.

Molecular Properties

Compound Name11-(2-hydroxyethyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione
PubChem CID2856883
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name11-(2-hydroxyethyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione
SMILESO=C1CC2c3ccccc3C1C1C(=O)N(CCO)C(=O)C21
InChIInChI=1S/C16H15NO4/c18-6-5-17-15(20)13-10-7-11(19)12(14(13)16(17)21)9-4-2-1-3-8(9)10/h1-4,10,12-14,18H,5-7H2
InChIKeyBYJRWLZLNXNCIP-UHFFFAOYSA-N
XLogP0.43
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-(2-hydroxyethyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione?
The IUPAC name of 11-(2-hydroxyethyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione (CID 2856883) is 11-(2-hydroxyethyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione.
What is the SMILES notation for 11-(2-hydroxyethyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione?
The canonical SMILES for 11-(2-hydroxyethyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione is O=C1CC2c3ccccc3C1C1C(=O)N(CCO)C(=O)C21.
What is the InChIKey of 11-(2-hydroxyethyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione?
The InChIKey is BYJRWLZLNXNCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c18-6-5-17-15(20)13-10-7-11(19)12(14(13)16(17)21)9-4-2-1-3-8(9)10/h1-4,10,12-14,18H,5-7H2.
What are the key properties of 11-(2-hydroxyethyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione?
11-(2-hydroxyethyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione has a molecular weight of 285.30 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-hydroxyethyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione is sourced from PubChem (CID 2856883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).