4-phenyl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

C13H10N2O — CID 137378956

IUPAC4-phenyl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESO=C1NCc2ccnc(-c3ccccc3)c21
InChIInChI=1S/C13H10N2O/c16-13-11-10(8-15-13)6-7-14-12(11)9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)
InChIKeyHTVGXLIRXXWPGJ-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.99
Rot. Bonds1

About 4-phenyl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

4-phenyl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (PubChem CID 137378956) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-phenyl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name4-phenyl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
PubChem CID137378956
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name4-phenyl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESO=C1NCc2ccnc(-c3ccccc3)c21
InChIInChI=1S/C13H10N2O/c16-13-11-10(8-15-13)6-7-14-12(11)9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)
InChIKeyHTVGXLIRXXWPGJ-UHFFFAOYSA-N
XLogP1.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 4-phenyl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (CID 137378956) is 4-phenyl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 4-phenyl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 4-phenyl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is O=C1NCc2ccnc(-c3ccccc3)c21.
What is the InChIKey of 4-phenyl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The InChIKey is HTVGXLIRXXWPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c16-13-11-10(8-15-13)6-7-14-12(11)9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16).
What are the key properties of 4-phenyl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
4-phenyl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one has a molecular weight of 210.24 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 137378956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).