(1Z)-6-hydroxy-4,8,12-trioxo-3,9,11-trioxabicyclo[4.4.2]dodec-1-ene-2-carboxamide

C10H9NO8 — CID 142590932

IUPAC(1Z)-6-hydroxy-4,8,12-trioxo-3,9,11-trioxabicyclo[4.4.2]dodec-1-ene-2-carboxamide
SMILESNC(=O)/C1=C2/COC(=O)CC(O)(CC(=O)O1)C(=O)O2
InChIInChI=1S/C10H9NO8/c11-8(14)7-4-3-17-5(12)1-10(16,9(15)18-4)2-6(13)19-7/h16H,1-3H2,(H2,11,14)/b7-4+
InChIKeyFZWYKYFLRMPNLS-QPJJXVBHSA-N
MW271.18 g/mol
LogP-2.15
Rot. Bonds1

About (1Z)-6-hydroxy-4,8,12-trioxo-3,9,11-trioxabicyclo[4.4.2]dodec-1-ene-2-carboxamide

(1Z)-6-hydroxy-4,8,12-trioxo-3,9,11-trioxabicyclo[4.4.2]dodec-1-ene-2-carboxamide (PubChem CID 142590932) has the molecular formula C10H9NO8 and a molecular weight of 271.18 g/mol. Its IUPAC name is (1Z)-6-hydroxy-4,8,12-trioxo-3,9,11-trioxabicyclo[4.4.2]dodec-1-ene-2-carboxamide.

Molecular Properties

Compound Name(1Z)-6-hydroxy-4,8,12-trioxo-3,9,11-trioxabicyclo[4.4.2]dodec-1-ene-2-carboxamide
PubChem CID142590932
Molecular FormulaC10H9NO8
Molecular Weight271.18 g/mol
Exact Mass271.03
IUPAC Name(1Z)-6-hydroxy-4,8,12-trioxo-3,9,11-trioxabicyclo[4.4.2]dodec-1-ene-2-carboxamide
SMILESNC(=O)/C1=C2/COC(=O)CC(O)(CC(=O)O1)C(=O)O2
InChIInChI=1S/C10H9NO8/c11-8(14)7-4-3-17-5(12)1-10(16,9(15)18-4)2-6(13)19-7/h16H,1-3H2,(H2,11,14)/b7-4+
InChIKeyFZWYKYFLRMPNLS-QPJJXVBHSA-N
XLogP-2.15
TPSA142.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 5-2.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze (1Z)-6-hydroxy-4,8,12-trioxo-3,9,11-trioxabicyclo[4.4.2]dodec-1-ene-2-carboxamide with MolForge

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Related Compounds

1,9-dihydroxy-4,6,12,14,18,20-hexaoxabicyclo[7.7.5]henicosane-3,7,11,15,17,21-hexone
CID 172689316
(1Z)-6-hydroxy-3,9,10-trioxabicyclo[4.3.2]undec-1-ene-4,8,11-trione
CID 141318999
6-hydroxy-4,8,11-trioxo-3,9,10-trioxabicyclo[4.3.2]undecane-1-carbonitrile
CID 140713591
5-hydroxy-2,8,9-trioxa-1-bismabicyclo[3.3.2]decane-3,7,10-trione
CID 140574767
3-chloro-3-hydroxyoxolane-2,5-dione
CID 91503730
1,4-dioxane-2,5-dione;methane
CID 160896103
6-(dimethylamino)-1-hydroxy-4,11,15-trioxa-7-azatricyclo[7.3.3.05,10]pentadeca-5(10),6,8-triene-3,12,14-trione
CID 154635231
2,2,6-trihydroxy-1-methyl-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione
CID 141021336
2-amino-1,6-dihydroxy-2-(hydroxymethyl)-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione
CID 154680740
(3R)-3-hydroxy-5-oxooxolane-3-carboxylic acid
CID 45084685
3-ethyl-3-methyloxolane-2,5-dione;methane
CID 157130864
3-cyclohexyl-3-hydroxyoxolane-2,5-dione
CID 156904960

Frequently Asked Questions

What is the IUPAC name of (1Z)-6-hydroxy-4,8,12-trioxo-3,9,11-trioxabicyclo[4.4.2]dodec-1-ene-2-carboxamide?
The IUPAC name of (1Z)-6-hydroxy-4,8,12-trioxo-3,9,11-trioxabicyclo[4.4.2]dodec-1-ene-2-carboxamide (CID 142590932) is (1Z)-6-hydroxy-4,8,12-trioxo-3,9,11-trioxabicyclo[4.4.2]dodec-1-ene-2-carboxamide.
What is the SMILES notation for (1Z)-6-hydroxy-4,8,12-trioxo-3,9,11-trioxabicyclo[4.4.2]dodec-1-ene-2-carboxamide?
The canonical SMILES for (1Z)-6-hydroxy-4,8,12-trioxo-3,9,11-trioxabicyclo[4.4.2]dodec-1-ene-2-carboxamide is NC(=O)/C1=C2/COC(=O)CC(O)(CC(=O)O1)C(=O)O2.
What is the InChIKey of (1Z)-6-hydroxy-4,8,12-trioxo-3,9,11-trioxabicyclo[4.4.2]dodec-1-ene-2-carboxamide?
The InChIKey is FZWYKYFLRMPNLS-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H9NO8/c11-8(14)7-4-3-17-5(12)1-10(16,9(15)18-4)2-6(13)19-7/h16H,1-3H2,(H2,11,14)/b7-4+.
What are the key properties of (1Z)-6-hydroxy-4,8,12-trioxo-3,9,11-trioxabicyclo[4.4.2]dodec-1-ene-2-carboxamide?
(1Z)-6-hydroxy-4,8,12-trioxo-3,9,11-trioxabicyclo[4.4.2]dodec-1-ene-2-carboxamide has a molecular weight of 271.18 g/mol, XLogP of -2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-6-hydroxy-4,8,12-trioxo-3,9,11-trioxabicyclo[4.4.2]dodec-1-ene-2-carboxamide is sourced from PubChem (CID 142590932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).