3,8-dimethyl-1H-cinnolin-4-one

C10H10N2O — CID 126518648

IUPAC3,8-dimethyl-1H-cinnolin-4-one
SMILESCc1n[nH]c2c(C)cccc2c1=O
InChIInChI=1S/C10H10N2O/c1-6-4-3-5-8-9(6)12-11-7(2)10(8)13/h3-5H,1-2H3,(H,12,13)
InChIKeyMPJZWAKBBZKGGM-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.54
Rot. Bonds

About 3,8-dimethyl-1H-cinnolin-4-one

3,8-dimethyl-1H-cinnolin-4-one (PubChem CID 126518648) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3,8-dimethyl-1H-cinnolin-4-one.

Molecular Properties

Compound Name3,8-dimethyl-1H-cinnolin-4-one
PubChem CID126518648
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3,8-dimethyl-1H-cinnolin-4-one
SMILESCc1n[nH]c2c(C)cccc2c1=O
InChIInChI=1S/C10H10N2O/c1-6-4-3-5-8-9(6)12-11-7(2)10(8)13/h3-5H,1-2H3,(H,12,13)
InChIKeyMPJZWAKBBZKGGM-UHFFFAOYSA-N
XLogP1.54
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-1H-cinnolin-4-one?
The IUPAC name of 3,8-dimethyl-1H-cinnolin-4-one (CID 126518648) is 3,8-dimethyl-1H-cinnolin-4-one.
What is the SMILES notation for 3,8-dimethyl-1H-cinnolin-4-one?
The canonical SMILES for 3,8-dimethyl-1H-cinnolin-4-one is Cc1n[nH]c2c(C)cccc2c1=O.
What is the InChIKey of 3,8-dimethyl-1H-cinnolin-4-one?
The InChIKey is MPJZWAKBBZKGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-6-4-3-5-8-9(6)12-11-7(2)10(8)13/h3-5H,1-2H3,(H,12,13).
What are the key properties of 3,8-dimethyl-1H-cinnolin-4-one?
3,8-dimethyl-1H-cinnolin-4-one has a molecular weight of 174.20 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-1H-cinnolin-4-one is sourced from PubChem (CID 126518648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).