4a,5-dihydro-4H-cinnolin-8-one

C8H8N2O — CID 57294843

IUPAC4a,5-dihydro-4H-cinnolin-8-one
SMILESO=C1C=CCC2CC=NN=C12
InChIInChI=1S/C8H8N2O/c11-7-3-1-2-6-4-5-9-10-8(6)7/h1,3,5-6H,2,4H2
InChIKeyLWLHKPOIUGAYQD-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.96
Rot. Bonds

About 4a,5-dihydro-4H-cinnolin-8-one

4a,5-dihydro-4H-cinnolin-8-one (PubChem CID 57294843) has the molecular formula C8H8N2O and a molecular weight of 148.17 g/mol. Its IUPAC name is 4a,5-dihydro-4H-cinnolin-8-one.

Molecular Properties

Compound Name4a,5-dihydro-4H-cinnolin-8-one
PubChem CID57294843
Molecular FormulaC8H8N2O
Molecular Weight148.17 g/mol
Exact Mass148.06
IUPAC Name4a,5-dihydro-4H-cinnolin-8-one
SMILESO=C1C=CCC2CC=NN=C12
InChIInChI=1S/C8H8N2O/c11-7-3-1-2-6-4-5-9-10-8(6)7/h1,3,5-6H,2,4H2
InChIKeyLWLHKPOIUGAYQD-UHFFFAOYSA-N
XLogP0.96
TPSA41.79 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 ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4,6-Dihydro-1,2-benzodiazepin-7-one
CID 69956507
1-(4,4a-Dihydrocinnolin-4-yl)ethanone
CID 70315315
4a,5-dihydro-2H-quinolin-8-one
CID 91275193

Frequently Asked Questions

What is the IUPAC name of 4a,5-dihydro-4H-cinnolin-8-one?
The IUPAC name of 4a,5-dihydro-4H-cinnolin-8-one (CID 57294843) is 4a,5-dihydro-4H-cinnolin-8-one.
What is the SMILES notation for 4a,5-dihydro-4H-cinnolin-8-one?
The canonical SMILES for 4a,5-dihydro-4H-cinnolin-8-one is O=C1C=CCC2CC=NN=C12.
What is the InChIKey of 4a,5-dihydro-4H-cinnolin-8-one?
The InChIKey is LWLHKPOIUGAYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c11-7-3-1-2-6-4-5-9-10-8(6)7/h1,3,5-6H,2,4H2.
What are the key properties of 4a,5-dihydro-4H-cinnolin-8-one?
4a,5-dihydro-4H-cinnolin-8-one has a molecular weight of 148.17 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5-dihydro-4H-cinnolin-8-one is sourced from PubChem (CID 57294843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).