3-phenyl-4,7-dihydro-3H-pyrano[3,4-c]pyridine-1,8-dione

C14H11NO3 — CID 69055004

IUPAC3-phenyl-4,7-dihydro-3H-pyrano[3,4-c]pyridine-1,8-dione
SMILESO=C1OC(c2ccccc2)Cc2cc[nH]c(=O)c21
InChIInChI=1S/C14H11NO3/c16-13-12-10(6-7-15-13)8-11(18-14(12)17)9-4-2-1-3-5-9/h1-7,11H,8H2,(H,15,16)
InChIKeyIMAKDPXYIIODKM-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.83
Rot. Bonds1

About 3-phenyl-4,7-dihydro-3H-pyrano[3,4-c]pyridine-1,8-dione

3-phenyl-4,7-dihydro-3H-pyrano[3,4-c]pyridine-1,8-dione (PubChem CID 69055004) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-phenyl-4,7-dihydro-3H-pyrano[3,4-c]pyridine-1,8-dione.

Molecular Properties

Compound Name3-phenyl-4,7-dihydro-3H-pyrano[3,4-c]pyridine-1,8-dione
PubChem CID69055004
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name3-phenyl-4,7-dihydro-3H-pyrano[3,4-c]pyridine-1,8-dione
SMILESO=C1OC(c2ccccc2)Cc2cc[nH]c(=O)c21
InChIInChI=1S/C14H11NO3/c16-13-12-10(6-7-15-13)8-11(18-14(12)17)9-4-2-1-3-5-9/h1-7,11H,8H2,(H,15,16)
InChIKeyIMAKDPXYIIODKM-UHFFFAOYSA-N
XLogP1.83
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4,7-dihydro-3H-pyrano[3,4-c]pyridine-1,8-dione?
The IUPAC name of 3-phenyl-4,7-dihydro-3H-pyrano[3,4-c]pyridine-1,8-dione (CID 69055004) is 3-phenyl-4,7-dihydro-3H-pyrano[3,4-c]pyridine-1,8-dione.
What is the SMILES notation for 3-phenyl-4,7-dihydro-3H-pyrano[3,4-c]pyridine-1,8-dione?
The canonical SMILES for 3-phenyl-4,7-dihydro-3H-pyrano[3,4-c]pyridine-1,8-dione is O=C1OC(c2ccccc2)Cc2cc[nH]c(=O)c21.
What is the InChIKey of 3-phenyl-4,7-dihydro-3H-pyrano[3,4-c]pyridine-1,8-dione?
The InChIKey is IMAKDPXYIIODKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c16-13-12-10(6-7-15-13)8-11(18-14(12)17)9-4-2-1-3-5-9/h1-7,11H,8H2,(H,15,16).
What are the key properties of 3-phenyl-4,7-dihydro-3H-pyrano[3,4-c]pyridine-1,8-dione?
3-phenyl-4,7-dihydro-3H-pyrano[3,4-c]pyridine-1,8-dione has a molecular weight of 241.25 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4,7-dihydro-3H-pyrano[3,4-c]pyridine-1,8-dione is sourced from PubChem (CID 69055004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).