8-methyl-5,6,7,8-tetrahydro-2H-cinnolin-3-one

C9H12N2O — CID 14363894

IUPAC8-methyl-5,6,7,8-tetrahydro-2H-cinnolin-3-one
SMILESCC1CCCc2cc(=O)[nH]nc21
InChIInChI=1S/C9H12N2O/c1-6-3-2-4-7-5-8(12)10-11-9(6)7/h5-6H,2-4H2,1H3,(H,10,12)
InChIKeyUEFVEEZFMMMHQC-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.21
Rot. Bonds

About 8-methyl-5,6,7,8-tetrahydro-2H-cinnolin-3-one

8-methyl-5,6,7,8-tetrahydro-2H-cinnolin-3-one (PubChem CID 14363894) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 8-methyl-5,6,7,8-tetrahydro-2H-cinnolin-3-one.

Molecular Properties

Compound Name8-methyl-5,6,7,8-tetrahydro-2H-cinnolin-3-one
PubChem CID14363894
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name8-methyl-5,6,7,8-tetrahydro-2H-cinnolin-3-one
SMILESCC1CCCc2cc(=O)[nH]nc21
InChIInChI=1S/C9H12N2O/c1-6-3-2-4-7-5-8(12)10-11-9(6)7/h5-6H,2-4H2,1H3,(H,10,12)
InChIKeyUEFVEEZFMMMHQC-UHFFFAOYSA-N
XLogP1.21
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5,6,7,8-tetrahydro-2H-cinnolin-3-one?
The IUPAC name of 8-methyl-5,6,7,8-tetrahydro-2H-cinnolin-3-one (CID 14363894) is 8-methyl-5,6,7,8-tetrahydro-2H-cinnolin-3-one.
What is the SMILES notation for 8-methyl-5,6,7,8-tetrahydro-2H-cinnolin-3-one?
The canonical SMILES for 8-methyl-5,6,7,8-tetrahydro-2H-cinnolin-3-one is CC1CCCc2cc(=O)[nH]nc21.
What is the InChIKey of 8-methyl-5,6,7,8-tetrahydro-2H-cinnolin-3-one?
The InChIKey is UEFVEEZFMMMHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-3-2-4-7-5-8(12)10-11-9(6)7/h5-6H,2-4H2,1H3,(H,10,12).
What are the key properties of 8-methyl-5,6,7,8-tetrahydro-2H-cinnolin-3-one?
8-methyl-5,6,7,8-tetrahydro-2H-cinnolin-3-one has a molecular weight of 164.21 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5,6,7,8-tetrahydro-2H-cinnolin-3-one is sourced from PubChem (CID 14363894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).