1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one

C12H11NO2 — CID 13136922

IUPAC1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one
SMILESO=c1oc2ccccc2c2c1CNCC2
InChIInChI=1S/C12H11NO2/c14-12-10-7-13-6-5-8(10)9-3-1-2-4-11(9)15-12/h1-4,13H,5-7H2
InChIKeyUWYCVSAHAGGILC-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.44
Rot. Bonds

About 1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one

1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one (PubChem CID 13136922) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one.

Molecular Properties

Compound Name1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one
PubChem CID13136922
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one
SMILESO=c1oc2ccccc2c2c1CNCC2
InChIInChI=1S/C12H11NO2/c14-12-10-7-13-6-5-8(10)9-3-1-2-4-11(9)15-12/h1-4,13H,5-7H2
InChIKeyUWYCVSAHAGGILC-UHFFFAOYSA-N
XLogP1.44
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one?
The IUPAC name of 1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one (CID 13136922) is 1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one.
What is the SMILES notation for 1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one?
The canonical SMILES for 1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one is O=c1oc2ccccc2c2c1CNCC2.
What is the InChIKey of 1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one?
The InChIKey is UWYCVSAHAGGILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-12-10-7-13-6-5-8(10)9-3-1-2-4-11(9)15-12/h1-4,13H,5-7H2.
What are the key properties of 1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one?
1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one has a molecular weight of 201.23 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one is sourced from PubChem (CID 13136922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).