5-benzyl-6-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile

C15H13N3O — CID 13445840

IUPAC5-benzyl-6-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile
SMILESN#Cc1c2c(cn(Cc3ccccc3)c1=O)CCN2
InChIInChI=1S/C15H13N3O/c16-8-13-14-12(6-7-17-14)10-18(15(13)19)9-11-4-2-1-3-5-11/h1-5,10,17H,6-7,9H2
InChIKeyZFRXMTDDFAZBKH-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.74
Rot. Bonds2

About 5-benzyl-6-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile

5-benzyl-6-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile (PubChem CID 13445840) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-benzyl-6-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name5-benzyl-6-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile
PubChem CID13445840
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name5-benzyl-6-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile
SMILESN#Cc1c2c(cn(Cc3ccccc3)c1=O)CCN2
InChIInChI=1S/C15H13N3O/c16-8-13-14-12(6-7-17-14)10-18(15(13)19)9-11-4-2-1-3-5-11/h1-5,10,17H,6-7,9H2
InChIKeyZFRXMTDDFAZBKH-UHFFFAOYSA-N
XLogP1.74
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-6-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile?
The IUPAC name of 5-benzyl-6-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile (CID 13445840) is 5-benzyl-6-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile.
What is the SMILES notation for 5-benzyl-6-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile?
The canonical SMILES for 5-benzyl-6-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile is N#Cc1c2c(cn(Cc3ccccc3)c1=O)CCN2.
What is the InChIKey of 5-benzyl-6-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile?
The InChIKey is ZFRXMTDDFAZBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-8-13-14-12(6-7-17-14)10-18(15(13)19)9-11-4-2-1-3-5-11/h1-5,10,17H,6-7,9H2.
What are the key properties of 5-benzyl-6-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile?
5-benzyl-6-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile has a molecular weight of 251.29 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-6-oxo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile is sourced from PubChem (CID 13445840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).