7,8,9,10-tetrahydro-4H-isochromeno[4,3-c]pyridine-1,3,6-trione

C12H11NO4 — CID 58317136

IUPAC7,8,9,10-tetrahydro-4H-isochromeno[4,3-c]pyridine-1,3,6-trione
SMILESO=C1Cc2oc(=O)c3c(c2C(=O)N1)CCCC3
InChIInChI=1S/C12H11NO4/c14-9-5-8-10(11(15)13-9)6-3-1-2-4-7(6)12(16)17-8/h1-5H2,(H,13,14,15)
InChIKeyYLXLAJLZGJGCTI-UHFFFAOYSA-N
MW233.22 g/mol
LogP0.33
Rot. Bonds

About 7,8,9,10-tetrahydro-4H-isochromeno[4,3-c]pyridine-1,3,6-trione

7,8,9,10-tetrahydro-4H-isochromeno[4,3-c]pyridine-1,3,6-trione (PubChem CID 58317136) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 7,8,9,10-tetrahydro-4H-isochromeno[4,3-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name7,8,9,10-tetrahydro-4H-isochromeno[4,3-c]pyridine-1,3,6-trione
PubChem CID58317136
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name7,8,9,10-tetrahydro-4H-isochromeno[4,3-c]pyridine-1,3,6-trione
SMILESO=C1Cc2oc(=O)c3c(c2C(=O)N1)CCCC3
InChIInChI=1S/C12H11NO4/c14-9-5-8-10(11(15)13-9)6-3-1-2-4-7(6)12(16)17-8/h1-5H2,(H,13,14,15)
InChIKeyYLXLAJLZGJGCTI-UHFFFAOYSA-N
XLogP0.33
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317097
4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317151
1,5,6,7,8,9-hexahydro-3-benzazepine-2,4-dione
CID 24974773
4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317147
4-(5,5-difluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317155
4-ethyl-3-iodo-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-ethyl-3-(2-phenylethynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 123225855
3-cyclobutylidenepyrrolidine-2,5-dione
CID 81251544
7H-furo[3,2-c]pyridine-4,6-dione
CID 55283626
8-oxa-4,6-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7)-diene-3,5,9-trione
CID 59304706
4-[3-(1-cyclopropylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317224
1,3-diazonane-2,4,9-trione;dihydrate
CID 160784508
3-(2-hydroxypropan-2-yl)-4-phenyl-5,6,7,8-tetrahydroisochromen-1-one
CID 11000575

Frequently Asked Questions

What is the IUPAC name of 7,8,9,10-tetrahydro-4H-isochromeno[4,3-c]pyridine-1,3,6-trione?
The IUPAC name of 7,8,9,10-tetrahydro-4H-isochromeno[4,3-c]pyridine-1,3,6-trione (CID 58317136) is 7,8,9,10-tetrahydro-4H-isochromeno[4,3-c]pyridine-1,3,6-trione.
What is the SMILES notation for 7,8,9,10-tetrahydro-4H-isochromeno[4,3-c]pyridine-1,3,6-trione?
The canonical SMILES for 7,8,9,10-tetrahydro-4H-isochromeno[4,3-c]pyridine-1,3,6-trione is O=C1Cc2oc(=O)c3c(c2C(=O)N1)CCCC3.
What is the InChIKey of 7,8,9,10-tetrahydro-4H-isochromeno[4,3-c]pyridine-1,3,6-trione?
The InChIKey is YLXLAJLZGJGCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c14-9-5-8-10(11(15)13-9)6-3-1-2-4-7(6)12(16)17-8/h1-5H2,(H,13,14,15).
What are the key properties of 7,8,9,10-tetrahydro-4H-isochromeno[4,3-c]pyridine-1,3,6-trione?
7,8,9,10-tetrahydro-4H-isochromeno[4,3-c]pyridine-1,3,6-trione has a molecular weight of 233.22 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9,10-tetrahydro-4H-isochromeno[4,3-c]pyridine-1,3,6-trione is sourced from PubChem (CID 58317136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).