2-benzyl-1H-pyrrolo[3,4-c]pyridin-3-one

C14H12N2O — CID 6622480

IUPAC2-benzyl-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESO=C1c2cnccc2CN1Cc1ccccc1
InChIInChI=1S/C14H12N2O/c17-14-13-8-15-7-6-12(13)10-16(14)9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyRLFSIGAAAGHUTR-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.24
Rot. Bonds2

About 2-benzyl-1H-pyrrolo[3,4-c]pyridin-3-one

2-benzyl-1H-pyrrolo[3,4-c]pyridin-3-one (PubChem CID 6622480) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-benzyl-1H-pyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name2-benzyl-1H-pyrrolo[3,4-c]pyridin-3-one
PubChem CID6622480
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-benzyl-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESO=C1c2cnccc2CN1Cc1ccccc1
InChIInChI=1S/C14H12N2O/c17-14-13-8-15-7-6-12(13)10-16(14)9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyRLFSIGAAAGHUTR-UHFFFAOYSA-N
XLogP2.24
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1H-pyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 2-benzyl-1H-pyrrolo[3,4-c]pyridin-3-one (CID 6622480) is 2-benzyl-1H-pyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 2-benzyl-1H-pyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 2-benzyl-1H-pyrrolo[3,4-c]pyridin-3-one is O=C1c2cnccc2CN1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1H-pyrrolo[3,4-c]pyridin-3-one?
The InChIKey is RLFSIGAAAGHUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c17-14-13-8-15-7-6-12(13)10-16(14)9-11-4-2-1-3-5-11/h1-8H,9-10H2.
What are the key properties of 2-benzyl-1H-pyrrolo[3,4-c]pyridin-3-one?
2-benzyl-1H-pyrrolo[3,4-c]pyridin-3-one has a molecular weight of 224.26 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1H-pyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 6622480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).