4-amino-1-methylchromeno[3,4-c]pyridin-5-one

C13H10N2O2 — CID 780919

IUPAC4-amino-1-methylchromeno[3,4-c]pyridin-5-one
SMILESCc1cnc(N)c2c(=O)oc3ccccc3c12
InChIInChI=1S/C13H10N2O2/c1-7-6-15-12(14)11-10(7)8-4-2-3-5-9(8)17-13(11)16/h2-6H,1H3,(H2,14,15)
InChIKeyVZLKYPOYSSGXNH-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.23
Rot. Bonds

About 4-amino-1-methylchromeno[3,4-c]pyridin-5-one

4-amino-1-methylchromeno[3,4-c]pyridin-5-one (PubChem CID 780919) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-amino-1-methylchromeno[3,4-c]pyridin-5-one.

Molecular Properties

Compound Name4-amino-1-methylchromeno[3,4-c]pyridin-5-one
PubChem CID780919
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name4-amino-1-methylchromeno[3,4-c]pyridin-5-one
SMILESCc1cnc(N)c2c(=O)oc3ccccc3c12
InChIInChI=1S/C13H10N2O2/c1-7-6-15-12(14)11-10(7)8-4-2-3-5-9(8)17-13(11)16/h2-6H,1H3,(H2,14,15)
InChIKeyVZLKYPOYSSGXNH-UHFFFAOYSA-N
XLogP2.23
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylchromeno[3,4-c]pyridin-5-one?
The IUPAC name of 4-amino-1-methylchromeno[3,4-c]pyridin-5-one (CID 780919) is 4-amino-1-methylchromeno[3,4-c]pyridin-5-one.
What is the SMILES notation for 4-amino-1-methylchromeno[3,4-c]pyridin-5-one?
The canonical SMILES for 4-amino-1-methylchromeno[3,4-c]pyridin-5-one is Cc1cnc(N)c2c(=O)oc3ccccc3c12.
What is the InChIKey of 4-amino-1-methylchromeno[3,4-c]pyridin-5-one?
The InChIKey is VZLKYPOYSSGXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-7-6-15-12(14)11-10(7)8-4-2-3-5-9(8)17-13(11)16/h2-6H,1H3,(H2,14,15).
What are the key properties of 4-amino-1-methylchromeno[3,4-c]pyridin-5-one?
4-amino-1-methylchromeno[3,4-c]pyridin-5-one has a molecular weight of 226.24 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylchromeno[3,4-c]pyridin-5-one is sourced from PubChem (CID 780919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).