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

C12H9NO2 — CID 146170101

IUPAC1,2-dihydrochromeno[4,3-b]pyridin-5-one
SMILESO=c1oc2ccccc2c2c1C=CCN2
InChIInChI=1S/C12H9NO2/c14-12-9-5-3-7-13-11(9)8-4-1-2-6-10(8)15-12/h1-6,13H,7H2
InChIKeyMJCAFYRMDPJUEN-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.23
Rot. Bonds

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

1,2-dihydrochromeno[4,3-b]pyridin-5-one (PubChem CID 146170101) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 1,2-dihydrochromeno[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name1,2-dihydrochromeno[4,3-b]pyridin-5-one
PubChem CID146170101
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name1,2-dihydrochromeno[4,3-b]pyridin-5-one
SMILESO=c1oc2ccccc2c2c1C=CCN2
InChIInChI=1S/C12H9NO2/c14-12-9-5-3-7-13-11(9)8-4-1-2-6-10(8)15-12/h1-6,13H,7H2
InChIKeyMJCAFYRMDPJUEN-UHFFFAOYSA-N
XLogP2.23
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-methyl-1,2,3,4-tetrahydrochromeno[3,4-b]pyridin-5-one
CID 12051006
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CID 24756332
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one
CID 13136922
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CID 54676635
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CID 1488785

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydrochromeno[4,3-b]pyridin-5-one?
The IUPAC name of 1,2-dihydrochromeno[4,3-b]pyridin-5-one (CID 146170101) is 1,2-dihydrochromeno[4,3-b]pyridin-5-one.
What is the SMILES notation for 1,2-dihydrochromeno[4,3-b]pyridin-5-one?
The canonical SMILES for 1,2-dihydrochromeno[4,3-b]pyridin-5-one is O=c1oc2ccccc2c2c1C=CCN2.
What is the InChIKey of 1,2-dihydrochromeno[4,3-b]pyridin-5-one?
The InChIKey is MJCAFYRMDPJUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c14-12-9-5-3-7-13-11(9)8-4-1-2-6-10(8)15-12/h1-6,13H,7H2.
What are the key properties of 1,2-dihydrochromeno[4,3-b]pyridin-5-one?
1,2-dihydrochromeno[4,3-b]pyridin-5-one has a molecular weight of 199.21 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydrochromeno[4,3-b]pyridin-5-one is sourced from PubChem (CID 146170101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).