7,8-dihydro-6H-quinoxalin-5-one

C8H8N2O — CID 22598408

IUPAC7,8-dihydro-6H-quinoxalin-5-one
SMILESO=C1CCCc2nccnc21
InChIInChI=1S/C8H8N2O/c11-7-3-1-2-6-8(7)10-5-4-9-6/h4-5H,1-3H2
InChIKeySPKOETCAQSHXTM-UHFFFAOYSA-N
MW148.17 g/mol
LogP1.00
Rot. Bonds

About 7,8-dihydro-6H-quinoxalin-5-one

7,8-dihydro-6H-quinoxalin-5-one (PubChem CID 22598408) has the molecular formula C8H8N2O and a molecular weight of 148.17 g/mol. Its IUPAC name is 7,8-dihydro-6H-quinoxalin-5-one.

Molecular Properties

Compound Name7,8-dihydro-6H-quinoxalin-5-one
PubChem CID22598408
Molecular FormulaC8H8N2O
Molecular Weight148.17 g/mol
Exact Mass148.06
IUPAC Name7,8-dihydro-6H-quinoxalin-5-one
SMILESO=C1CCCc2nccnc21
InChIInChI=1S/C8H8N2O/c11-7-3-1-2-6-8(7)10-5-4-9-6/h4-5H,1-3H2
InChIKeySPKOETCAQSHXTM-UHFFFAOYSA-N
XLogP1.00
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-6H-quinoxalin-5-one?
The IUPAC name of 7,8-dihydro-6H-quinoxalin-5-one (CID 22598408) is 7,8-dihydro-6H-quinoxalin-5-one.
What is the SMILES notation for 7,8-dihydro-6H-quinoxalin-5-one?
The canonical SMILES for 7,8-dihydro-6H-quinoxalin-5-one is O=C1CCCc2nccnc21.
What is the InChIKey of 7,8-dihydro-6H-quinoxalin-5-one?
The InChIKey is SPKOETCAQSHXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c11-7-3-1-2-6-8(7)10-5-4-9-6/h4-5H,1-3H2.
What are the key properties of 7,8-dihydro-6H-quinoxalin-5-one?
7,8-dihydro-6H-quinoxalin-5-one has a molecular weight of 148.17 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-6H-quinoxalin-5-one is sourced from PubChem (CID 22598408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).