4a,10a-dihydrochromeno[3,2-c]pyridin-10-one

C12H9NO2 — CID 67608313

IUPAC4a,10a-dihydrochromeno[3,2-c]pyridin-10-one
SMILESO=C1c2ccccc2OC2C=CN=CC12
InChIInChI=1S/C12H9NO2/c14-12-8-3-1-2-4-10(8)15-11-5-6-13-7-9(11)12/h1-7,9,11H
InChIKeyVOFKAYRTTVLJPY-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.84
Rot. Bonds

About 4a,10a-dihydrochromeno[3,2-c]pyridin-10-one

4a,10a-dihydrochromeno[3,2-c]pyridin-10-one (PubChem CID 67608313) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 4a,10a-dihydrochromeno[3,2-c]pyridin-10-one.

Molecular Properties

Compound Name4a,10a-dihydrochromeno[3,2-c]pyridin-10-one
PubChem CID67608313
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name4a,10a-dihydrochromeno[3,2-c]pyridin-10-one
SMILESO=C1c2ccccc2OC2C=CN=CC12
InChIInChI=1S/C12H9NO2/c14-12-8-3-1-2-4-10(8)15-11-5-6-13-7-9(11)12/h1-7,9,11H
InChIKeyVOFKAYRTTVLJPY-UHFFFAOYSA-N
XLogP1.84
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4a,10a-dihydrochromeno[3,2-c]pyridin-10-one?
The IUPAC name of 4a,10a-dihydrochromeno[3,2-c]pyridin-10-one (CID 67608313) is 4a,10a-dihydrochromeno[3,2-c]pyridin-10-one.
What is the SMILES notation for 4a,10a-dihydrochromeno[3,2-c]pyridin-10-one?
The canonical SMILES for 4a,10a-dihydrochromeno[3,2-c]pyridin-10-one is O=C1c2ccccc2OC2C=CN=CC12.
What is the InChIKey of 4a,10a-dihydrochromeno[3,2-c]pyridin-10-one?
The InChIKey is VOFKAYRTTVLJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c14-12-8-3-1-2-4-10(8)15-11-5-6-13-7-9(11)12/h1-7,9,11H.
What are the key properties of 4a,10a-dihydrochromeno[3,2-c]pyridin-10-one?
4a,10a-dihydrochromeno[3,2-c]pyridin-10-one has a molecular weight of 199.21 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,10a-dihydrochromeno[3,2-c]pyridin-10-one is sourced from PubChem (CID 67608313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).