2,4,5,6-tetrahydro-1H-cinnolin-3-one

C8H10N2O — CID 21425727

IUPAC2,4,5,6-tetrahydro-1H-cinnolin-3-one
SMILESO=C1CC2=C(C=CCC2)NN1
InChIInChI=1S/C8H10N2O/c11-8-5-6-3-1-2-4-7(6)9-10-8/h2,4,9H,1,3,5H2,(H,10,11)
InChIKeyAQZHSELFVPYFPR-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.62
Rot. Bonds

About 2,4,5,6-tetrahydro-1H-cinnolin-3-one

2,4,5,6-tetrahydro-1H-cinnolin-3-one (PubChem CID 21425727) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2,4,5,6-tetrahydro-1H-cinnolin-3-one.

Molecular Properties

Compound Name2,4,5,6-tetrahydro-1H-cinnolin-3-one
PubChem CID21425727
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2,4,5,6-tetrahydro-1H-cinnolin-3-one
SMILESO=C1CC2=C(C=CCC2)NN1
InChIInChI=1S/C8H10N2O/c11-8-5-6-3-1-2-4-7(6)9-10-8/h2,4,9H,1,3,5H2,(H,10,11)
InChIKeyAQZHSELFVPYFPR-UHFFFAOYSA-N
XLogP0.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetrahydro-1H-cinnolin-3-one?
The IUPAC name of 2,4,5,6-tetrahydro-1H-cinnolin-3-one (CID 21425727) is 2,4,5,6-tetrahydro-1H-cinnolin-3-one.
What is the SMILES notation for 2,4,5,6-tetrahydro-1H-cinnolin-3-one?
The canonical SMILES for 2,4,5,6-tetrahydro-1H-cinnolin-3-one is O=C1CC2=C(C=CCC2)NN1.
What is the InChIKey of 2,4,5,6-tetrahydro-1H-cinnolin-3-one?
The InChIKey is AQZHSELFVPYFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c11-8-5-6-3-1-2-4-7(6)9-10-8/h2,4,9H,1,3,5H2,(H,10,11).
What are the key properties of 2,4,5,6-tetrahydro-1H-cinnolin-3-one?
2,4,5,6-tetrahydro-1H-cinnolin-3-one has a molecular weight of 150.18 g/mol, XLogP of 0.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetrahydro-1H-cinnolin-3-one is sourced from PubChem (CID 21425727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).