1-benzyl-5H-pyrrolo[3,2-c]pyridin-4-one

C14H12N2O — CID 14114385

IUPAC1-benzyl-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESO=c1[nH]ccc2c1ccn2Cc1ccccc1
InChIInChI=1S/C14H12N2O/c17-14-12-7-9-16(13(12)6-8-15-14)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,17)
InChIKeyVFDCHRWQDACBOK-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.38
Rot. Bonds2

About 1-benzyl-5H-pyrrolo[3,2-c]pyridin-4-one

1-benzyl-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 14114385) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-benzyl-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name1-benzyl-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID14114385
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name1-benzyl-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESO=c1[nH]ccc2c1ccn2Cc1ccccc1
InChIInChI=1S/C14H12N2O/c17-14-12-7-9-16(13(12)6-8-15-14)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,17)
InChIKeyVFDCHRWQDACBOK-UHFFFAOYSA-N
XLogP2.38
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 1-benzyl-5H-pyrrolo[3,2-c]pyridin-4-one (CID 14114385) is 1-benzyl-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 1-benzyl-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 1-benzyl-5H-pyrrolo[3,2-c]pyridin-4-one is O=c1[nH]ccc2c1ccn2Cc1ccccc1.
What is the InChIKey of 1-benzyl-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is VFDCHRWQDACBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c17-14-12-7-9-16(13(12)6-8-15-14)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,17).
What are the key properties of 1-benzyl-5H-pyrrolo[3,2-c]pyridin-4-one?
1-benzyl-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 224.26 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 14114385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).