8,8-dimethyl-2,5,6,7-tetrahydrocinnolin-3-one

C10H14N2O — CID 79837115

IUPAC8,8-dimethyl-2,5,6,7-tetrahydrocinnolin-3-one
SMILESCC1(C)CCCc2cc(=O)[nH]nc21
InChIInChI=1S/C10H14N2O/c1-10(2)5-3-4-7-6-8(13)11-12-9(7)10/h6H,3-5H2,1-2H3,(H,11,13)
InChIKeyMEGJHYAFHXPPEE-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.38
Rot. Bonds

About 8,8-dimethyl-2,5,6,7-tetrahydrocinnolin-3-one

8,8-dimethyl-2,5,6,7-tetrahydrocinnolin-3-one (PubChem CID 79837115) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 8,8-dimethyl-2,5,6,7-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name8,8-dimethyl-2,5,6,7-tetrahydrocinnolin-3-one
PubChem CID79837115
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name8,8-dimethyl-2,5,6,7-tetrahydrocinnolin-3-one
SMILESCC1(C)CCCc2cc(=O)[nH]nc21
InChIInChI=1S/C10H14N2O/c1-10(2)5-3-4-7-6-8(13)11-12-9(7)10/h6H,3-5H2,1-2H3,(H,11,13)
InChIKeyMEGJHYAFHXPPEE-UHFFFAOYSA-N
XLogP1.38
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8,8-dimethyl-2,5,6,7-tetrahydrocinnolin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-2,5,6,7-tetrahydrocinnolin-3-one?
The IUPAC name of 8,8-dimethyl-2,5,6,7-tetrahydrocinnolin-3-one (CID 79837115) is 8,8-dimethyl-2,5,6,7-tetrahydrocinnolin-3-one.
What is the SMILES notation for 8,8-dimethyl-2,5,6,7-tetrahydrocinnolin-3-one?
The canonical SMILES for 8,8-dimethyl-2,5,6,7-tetrahydrocinnolin-3-one is CC1(C)CCCc2cc(=O)[nH]nc21.
What is the InChIKey of 8,8-dimethyl-2,5,6,7-tetrahydrocinnolin-3-one?
The InChIKey is MEGJHYAFHXPPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-10(2)5-3-4-7-6-8(13)11-12-9(7)10/h6H,3-5H2,1-2H3,(H,11,13).
What are the key properties of 8,8-dimethyl-2,5,6,7-tetrahydrocinnolin-3-one?
8,8-dimethyl-2,5,6,7-tetrahydrocinnolin-3-one has a molecular weight of 178.23 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-2,5,6,7-tetrahydrocinnolin-3-one is sourced from PubChem (CID 79837115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).