3-(hydroxymethyl)-1-methylcinnolin-4-one

C10H10N2O2 — CID 146273562

IUPAC3-(hydroxymethyl)-1-methylcinnolin-4-one
SMILESCn1nc(CO)c(=O)c2ccccc21
InChIInChI=1S/C10H10N2O2/c1-12-9-5-3-2-4-7(9)10(14)8(6-13)11-12/h2-5,13H,6H2,1H3
InChIKeyBQDUBSMXYKTMLZ-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.43
Rot. Bonds1

About 3-(hydroxymethyl)-1-methylcinnolin-4-one

3-(hydroxymethyl)-1-methylcinnolin-4-one (PubChem CID 146273562) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-methylcinnolin-4-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-methylcinnolin-4-one
PubChem CID146273562
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3-(hydroxymethyl)-1-methylcinnolin-4-one
SMILESCn1nc(CO)c(=O)c2ccccc21
InChIInChI=1S/C10H10N2O2/c1-12-9-5-3-2-4-7(9)10(14)8(6-13)11-12/h2-5,13H,6H2,1H3
InChIKeyBQDUBSMXYKTMLZ-UHFFFAOYSA-N
XLogP0.43
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1-methylcinnolin-4-one?
The IUPAC name of 3-(hydroxymethyl)-1-methylcinnolin-4-one (CID 146273562) is 3-(hydroxymethyl)-1-methylcinnolin-4-one.
What is the SMILES notation for 3-(hydroxymethyl)-1-methylcinnolin-4-one?
The canonical SMILES for 3-(hydroxymethyl)-1-methylcinnolin-4-one is Cn1nc(CO)c(=O)c2ccccc21.
What is the InChIKey of 3-(hydroxymethyl)-1-methylcinnolin-4-one?
The InChIKey is BQDUBSMXYKTMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-12-9-5-3-2-4-7(9)10(14)8(6-13)11-12/h2-5,13H,6H2,1H3.
What are the key properties of 3-(hydroxymethyl)-1-methylcinnolin-4-one?
3-(hydroxymethyl)-1-methylcinnolin-4-one has a molecular weight of 190.20 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1-methylcinnolin-4-one is sourced from PubChem (CID 146273562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).