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

C13H13NO2 — CID 12051006

IUPAC1-methyl-1,2,3,4-tetrahydrochromeno[3,4-b]pyridin-5-one
SMILESCC1CCNc2c1c1ccccc1oc2=O
InChIInChI=1S/C13H13NO2/c1-8-6-7-14-12-11(8)9-4-2-3-5-10(9)16-13(12)15/h2-5,8,14H,6-7H2,1H3
InChIKeyHHJCZQITXWMFGW-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.71
Rot. Bonds

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

1-methyl-1,2,3,4-tetrahydrochromeno[3,4-b]pyridin-5-one (PubChem CID 12051006) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-methyl-1,2,3,4-tetrahydrochromeno[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name1-methyl-1,2,3,4-tetrahydrochromeno[3,4-b]pyridin-5-one
PubChem CID12051006
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-methyl-1,2,3,4-tetrahydrochromeno[3,4-b]pyridin-5-one
SMILESCC1CCNc2c1c1ccccc1oc2=O
InChIInChI=1S/C13H13NO2/c1-8-6-7-14-12-11(8)9-4-2-3-5-10(9)16-13(12)15/h2-5,8,14H,6-7H2,1H3
InChIKeyHHJCZQITXWMFGW-UHFFFAOYSA-N
XLogP2.71
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.71
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-methyl-1,2,3,4-tetrahydrochromeno[3,4-b]pyridin-5-one?
The IUPAC name of 1-methyl-1,2,3,4-tetrahydrochromeno[3,4-b]pyridin-5-one (CID 12051006) is 1-methyl-1,2,3,4-tetrahydrochromeno[3,4-b]pyridin-5-one.
What is the SMILES notation for 1-methyl-1,2,3,4-tetrahydrochromeno[3,4-b]pyridin-5-one?
The canonical SMILES for 1-methyl-1,2,3,4-tetrahydrochromeno[3,4-b]pyridin-5-one is CC1CCNc2c1c1ccccc1oc2=O.
What is the InChIKey of 1-methyl-1,2,3,4-tetrahydrochromeno[3,4-b]pyridin-5-one?
The InChIKey is HHJCZQITXWMFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-8-6-7-14-12-11(8)9-4-2-3-5-10(9)16-13(12)15/h2-5,8,14H,6-7H2,1H3.
What are the key properties of 1-methyl-1,2,3,4-tetrahydrochromeno[3,4-b]pyridin-5-one?
1-methyl-1,2,3,4-tetrahydrochromeno[3,4-b]pyridin-5-one has a molecular weight of 215.25 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2,3,4-tetrahydrochromeno[3,4-b]pyridin-5-one is sourced from PubChem (CID 12051006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).