7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione

C9H8N2O2 — CID 55255707

IUPAC7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione
SMILESO=C1CCC(=O)c2cccnc2N1
InChIInChI=1S/C9H8N2O2/c12-7-3-4-8(13)11-9-6(7)2-1-5-10-9/h1-2,5H,3-4H2,(H,10,11,13)
InChIKeyMMRNZOSYBOQWME-UHFFFAOYSA-N
MW176.18 g/mol
LogP1.00
Rot. Bonds

About 7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione

7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione (PubChem CID 55255707) has the molecular formula C9H8N2O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is 7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione.

Molecular Properties

Compound Name7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione
PubChem CID55255707
Molecular FormulaC9H8N2O2
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Name7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione
SMILESO=C1CCC(=O)c2cccnc2N1
InChIInChI=1S/C9H8N2O2/c12-7-3-4-8(13)11-9-6(7)2-1-5-10-9/h1-2,5H,3-4H2,(H,10,11,13)
InChIKeyMMRNZOSYBOQWME-UHFFFAOYSA-N
XLogP1.00
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione?
The IUPAC name of 7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione (CID 55255707) is 7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione.
What is the SMILES notation for 7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione?
The canonical SMILES for 7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione is O=C1CCC(=O)c2cccnc2N1.
What is the InChIKey of 7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione?
The InChIKey is MMRNZOSYBOQWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-7-3-4-8(13)11-9-6(7)2-1-5-10-9/h1-2,5H,3-4H2,(H,10,11,13).
What are the key properties of 7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione?
7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione has a molecular weight of 176.18 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione is sourced from PubChem (CID 55255707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).