3-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C13H12N2O — CID 162687164

IUPAC3-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]cc(-c3ccccc3)c21
InChIInChI=1S/C13H12N2O/c16-13-12-10(9-4-2-1-3-5-9)8-15-11(12)6-7-14-13/h1-5,8,15H,6-7H2,(H,14,16)
InChIKeyBOYLQIFABYXHOL-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.97
Rot. Bonds1

About 3-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

3-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 162687164) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID162687164
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name3-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]cc(-c3ccccc3)c21
InChIInChI=1S/C13H12N2O/c16-13-12-10(9-4-2-1-3-5-9)8-15-11(12)6-7-14-13/h1-5,8,15H,6-7H2,(H,14,16)
InChIKeyBOYLQIFABYXHOL-UHFFFAOYSA-N
XLogP1.97
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 162687164) is 3-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2[nH]cc(-c3ccccc3)c21.
What is the InChIKey of 3-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is BOYLQIFABYXHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c16-13-12-10(9-4-2-1-3-5-9)8-15-11(12)6-7-14-13/h1-5,8,15H,6-7H2,(H,14,16).
What are the key properties of 3-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
3-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 212.25 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 162687164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).