3-acetyl-2-methyl-4-(2-nitrosophenyl)-7H-furo[3,4-b]pyridin-5-one

C16H12N2O4 — CID 11011898

IUPAC3-acetyl-2-methyl-4-(2-nitrosophenyl)-7H-furo[3,4-b]pyridin-5-one
SMILESCC(=O)c1c(C)nc2c(c1-c1ccccc1N=O)C(=O)OC2
InChIInChI=1S/C16H12N2O4/c1-8-13(9(2)19)14(10-5-3-4-6-11(10)18-21)15-12(17-8)7-22-16(15)20/h3-6H,7H2,1-2H3
InChIKeyQZWCKKYRWMYPLS-UHFFFAOYSA-N
MW296.28 g/mol
LogP3.33
Rot. Bonds3

About 3-acetyl-2-methyl-4-(2-nitrosophenyl)-7H-furo[3,4-b]pyridin-5-one

3-acetyl-2-methyl-4-(2-nitrosophenyl)-7H-furo[3,4-b]pyridin-5-one (PubChem CID 11011898) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 3-acetyl-2-methyl-4-(2-nitrosophenyl)-7H-furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name3-acetyl-2-methyl-4-(2-nitrosophenyl)-7H-furo[3,4-b]pyridin-5-one
PubChem CID11011898
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name3-acetyl-2-methyl-4-(2-nitrosophenyl)-7H-furo[3,4-b]pyridin-5-one
SMILESCC(=O)c1c(C)nc2c(c1-c1ccccc1N=O)C(=O)OC2
InChIInChI=1S/C16H12N2O4/c1-8-13(9(2)19)14(10-5-3-4-6-11(10)18-21)15-12(17-8)7-22-16(15)20/h3-6H,7H2,1-2H3
InChIKeyQZWCKKYRWMYPLS-UHFFFAOYSA-N
XLogP3.33
TPSA85.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-methyl-4-(2-nitrosophenyl)-7H-furo[3,4-b]pyridin-5-one?
The IUPAC name of 3-acetyl-2-methyl-4-(2-nitrosophenyl)-7H-furo[3,4-b]pyridin-5-one (CID 11011898) is 3-acetyl-2-methyl-4-(2-nitrosophenyl)-7H-furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 3-acetyl-2-methyl-4-(2-nitrosophenyl)-7H-furo[3,4-b]pyridin-5-one?
The canonical SMILES for 3-acetyl-2-methyl-4-(2-nitrosophenyl)-7H-furo[3,4-b]pyridin-5-one is CC(=O)c1c(C)nc2c(c1-c1ccccc1N=O)C(=O)OC2.
What is the InChIKey of 3-acetyl-2-methyl-4-(2-nitrosophenyl)-7H-furo[3,4-b]pyridin-5-one?
The InChIKey is QZWCKKYRWMYPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c1-8-13(9(2)19)14(10-5-3-4-6-11(10)18-21)15-12(17-8)7-22-16(15)20/h3-6H,7H2,1-2H3.
What are the key properties of 3-acetyl-2-methyl-4-(2-nitrosophenyl)-7H-furo[3,4-b]pyridin-5-one?
3-acetyl-2-methyl-4-(2-nitrosophenyl)-7H-furo[3,4-b]pyridin-5-one has a molecular weight of 296.28 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-methyl-4-(2-nitrosophenyl)-7H-furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 11011898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).