6-hydroxy-3-(2-hydroxyethyl)-4a,5,6,7-tetrahydro-2H-pyrazino[1,2-a][1]benzazepine-1,4-dione

C15H18N2O4 — CID 155810247

IUPAC6-hydroxy-3-(2-hydroxyethyl)-4a,5,6,7-tetrahydro-2H-pyrazino[1,2-a][1]benzazepine-1,4-dione
SMILESO=C1C2CC(O)Cc3ccccc3N2C(=O)CN1CCO
InChIInChI=1S/C15H18N2O4/c18-6-5-16-9-14(20)17-12-4-2-1-3-10(12)7-11(19)8-13(17)15(16)21/h1-4,11,13,18-19H,5-9H2
InChIKeyZVHWWYNSKYSRHJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.47
Rot. Bonds2

About 6-hydroxy-3-(2-hydroxyethyl)-4a,5,6,7-tetrahydro-2H-pyrazino[1,2-a][1]benzazepine-1,4-dione

6-hydroxy-3-(2-hydroxyethyl)-4a,5,6,7-tetrahydro-2H-pyrazino[1,2-a][1]benzazepine-1,4-dione (PubChem CID 155810247) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-hydroxy-3-(2-hydroxyethyl)-4a,5,6,7-tetrahydro-2H-pyrazino[1,2-a][1]benzazepine-1,4-dione.

Molecular Properties

Compound Name6-hydroxy-3-(2-hydroxyethyl)-4a,5,6,7-tetrahydro-2H-pyrazino[1,2-a][1]benzazepine-1,4-dione
PubChem CID155810247
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name6-hydroxy-3-(2-hydroxyethyl)-4a,5,6,7-tetrahydro-2H-pyrazino[1,2-a][1]benzazepine-1,4-dione
SMILESO=C1C2CC(O)Cc3ccccc3N2C(=O)CN1CCO
InChIInChI=1S/C15H18N2O4/c18-6-5-16-9-14(20)17-12-4-2-1-3-10(12)7-11(19)8-13(17)15(16)21/h1-4,11,13,18-19H,5-9H2
InChIKeyZVHWWYNSKYSRHJ-UHFFFAOYSA-N
XLogP-0.47
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-(2-hydroxyethyl)-4a,5,6,7-tetrahydro-2H-pyrazino[1,2-a][1]benzazepine-1,4-dione?
The IUPAC name of 6-hydroxy-3-(2-hydroxyethyl)-4a,5,6,7-tetrahydro-2H-pyrazino[1,2-a][1]benzazepine-1,4-dione (CID 155810247) is 6-hydroxy-3-(2-hydroxyethyl)-4a,5,6,7-tetrahydro-2H-pyrazino[1,2-a][1]benzazepine-1,4-dione.
What is the SMILES notation for 6-hydroxy-3-(2-hydroxyethyl)-4a,5,6,7-tetrahydro-2H-pyrazino[1,2-a][1]benzazepine-1,4-dione?
The canonical SMILES for 6-hydroxy-3-(2-hydroxyethyl)-4a,5,6,7-tetrahydro-2H-pyrazino[1,2-a][1]benzazepine-1,4-dione is O=C1C2CC(O)Cc3ccccc3N2C(=O)CN1CCO.
What is the InChIKey of 6-hydroxy-3-(2-hydroxyethyl)-4a,5,6,7-tetrahydro-2H-pyrazino[1,2-a][1]benzazepine-1,4-dione?
The InChIKey is ZVHWWYNSKYSRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-6-5-16-9-14(20)17-12-4-2-1-3-10(12)7-11(19)8-13(17)15(16)21/h1-4,11,13,18-19H,5-9H2.
What are the key properties of 6-hydroxy-3-(2-hydroxyethyl)-4a,5,6,7-tetrahydro-2H-pyrazino[1,2-a][1]benzazepine-1,4-dione?
6-hydroxy-3-(2-hydroxyethyl)-4a,5,6,7-tetrahydro-2H-pyrazino[1,2-a][1]benzazepine-1,4-dione has a molecular weight of 290.32 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-(2-hydroxyethyl)-4a,5,6,7-tetrahydro-2H-pyrazino[1,2-a][1]benzazepine-1,4-dione is sourced from PubChem (CID 155810247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).