5-benzyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-1-carbaldehyde

C15H14N2O2 — CID 86288547

IUPAC5-benzyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-1-carbaldehyde
SMILESO=Cc1[nH]cc2c1CCN(Cc1ccccc1)C2=O
InChIInChI=1S/C15H14N2O2/c18-10-14-12-6-7-17(15(19)13(12)8-16-14)9-11-4-2-1-3-5-11/h1-5,8,10,16H,6-7,9H2
InChIKeyONOPTRMCIAUCPN-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.03
Rot. Bonds3

About 5-benzyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-1-carbaldehyde

5-benzyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-1-carbaldehyde (PubChem CID 86288547) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-benzyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name5-benzyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-1-carbaldehyde
PubChem CID86288547
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name5-benzyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-1-carbaldehyde
SMILESO=Cc1[nH]cc2c1CCN(Cc1ccccc1)C2=O
InChIInChI=1S/C15H14N2O2/c18-10-14-12-6-7-17(15(19)13(12)8-16-14)9-11-4-2-1-3-5-11/h1-5,8,10,16H,6-7,9H2
InChIKeyONOPTRMCIAUCPN-UHFFFAOYSA-N
XLogP2.03
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-1-carbaldehyde?
The IUPAC name of 5-benzyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-1-carbaldehyde (CID 86288547) is 5-benzyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-1-carbaldehyde.
What is the SMILES notation for 5-benzyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-1-carbaldehyde?
The canonical SMILES for 5-benzyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-1-carbaldehyde is O=Cc1[nH]cc2c1CCN(Cc1ccccc1)C2=O.
What is the InChIKey of 5-benzyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-1-carbaldehyde?
The InChIKey is ONOPTRMCIAUCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-10-14-12-6-7-17(15(19)13(12)8-16-14)9-11-4-2-1-3-5-11/h1-5,8,10,16H,6-7,9H2.
What are the key properties of 5-benzyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-1-carbaldehyde?
5-benzyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-1-carbaldehyde has a molecular weight of 254.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-1-carbaldehyde is sourced from PubChem (CID 86288547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).