(2Z)-6,7-dihydroxy-5,8-dioxo-6,7-dihydro-1,4-dioxocine-2-carboxamide

C7H7NO7 — CID 167451157

IUPAC(2Z)-6,7-dihydroxy-5,8-dioxo-6,7-dihydro-1,4-dioxocine-2-carboxamide
SMILESNC(=O)/C1=C/OC(=O)C(O)C(O)C(=O)O1
InChIInChI=1S/C7H7NO7/c8-5(11)2-1-14-6(12)3(9)4(10)7(13)15-2/h1,3-4,9-10H,(H2,8,11)/b2-1-
InChIKeyINIQFNLEMBQRJP-UPHRSURJSA-N
MW217.13 g/mol
LogP-2.87
Rot. Bonds1

About (2Z)-6,7-dihydroxy-5,8-dioxo-6,7-dihydro-1,4-dioxocine-2-carboxamide

(2Z)-6,7-dihydroxy-5,8-dioxo-6,7-dihydro-1,4-dioxocine-2-carboxamide (PubChem CID 167451157) has the molecular formula C7H7NO7 and a molecular weight of 217.13 g/mol. Its IUPAC name is (2Z)-6,7-dihydroxy-5,8-dioxo-6,7-dihydro-1,4-dioxocine-2-carboxamide.

Molecular Properties

Compound Name(2Z)-6,7-dihydroxy-5,8-dioxo-6,7-dihydro-1,4-dioxocine-2-carboxamide
PubChem CID167451157
Molecular FormulaC7H7NO7
Molecular Weight217.13 g/mol
Exact Mass217.02
IUPAC Name(2Z)-6,7-dihydroxy-5,8-dioxo-6,7-dihydro-1,4-dioxocine-2-carboxamide
SMILESNC(=O)/C1=C/OC(=O)C(O)C(O)C(=O)O1
InChIInChI=1S/C7H7NO7/c8-5(11)2-1-14-6(12)3(9)4(10)7(13)15-2/h1,3-4,9-10H,(H2,8,11)/b2-1-
InChIKeyINIQFNLEMBQRJP-UPHRSURJSA-N
XLogP-2.87
TPSA136.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.13
LogP ≤ 5-2.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2Z)-6,7-dihydroxy-5,8-dioxo-6,7-dihydro-1,4-dioxocine-2-carboxamide?
The IUPAC name of (2Z)-6,7-dihydroxy-5,8-dioxo-6,7-dihydro-1,4-dioxocine-2-carboxamide (CID 167451157) is (2Z)-6,7-dihydroxy-5,8-dioxo-6,7-dihydro-1,4-dioxocine-2-carboxamide.
What is the SMILES notation for (2Z)-6,7-dihydroxy-5,8-dioxo-6,7-dihydro-1,4-dioxocine-2-carboxamide?
The canonical SMILES for (2Z)-6,7-dihydroxy-5,8-dioxo-6,7-dihydro-1,4-dioxocine-2-carboxamide is NC(=O)/C1=C/OC(=O)C(O)C(O)C(=O)O1.
What is the InChIKey of (2Z)-6,7-dihydroxy-5,8-dioxo-6,7-dihydro-1,4-dioxocine-2-carboxamide?
The InChIKey is INIQFNLEMBQRJP-UPHRSURJSA-N. The full InChI is InChI=1S/C7H7NO7/c8-5(11)2-1-14-6(12)3(9)4(10)7(13)15-2/h1,3-4,9-10H,(H2,8,11)/b2-1-.
What are the key properties of (2Z)-6,7-dihydroxy-5,8-dioxo-6,7-dihydro-1,4-dioxocine-2-carboxamide?
(2Z)-6,7-dihydroxy-5,8-dioxo-6,7-dihydro-1,4-dioxocine-2-carboxamide has a molecular weight of 217.13 g/mol, XLogP of -2.87, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6,7-dihydroxy-5,8-dioxo-6,7-dihydro-1,4-dioxocine-2-carboxamide is sourced from PubChem (CID 167451157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).