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

C8H8N2O2 — CID 12926932

IUPAC6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-1-carbaldehyde
SMILESO=CN1CCc2c[nH]c(=O)cc21
InChIInChI=1S/C8H8N2O2/c11-5-10-2-1-6-4-9-8(12)3-7(6)10/h3-5H,1-2H2,(H,9,12)
InChIKeyZKIJCDFJIWWLKR-UHFFFAOYSA-N
MW164.16 g/mol
LogP-0.11
Rot. Bonds1

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

6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-1-carbaldehyde (PubChem CID 12926932) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-1-carbaldehyde
PubChem CID12926932
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-1-carbaldehyde
SMILESO=CN1CCc2c[nH]c(=O)cc21
InChIInChI=1S/C8H8N2O2/c11-5-10-2-1-6-4-9-8(12)3-7(6)10/h3-5H,1-2H2,(H,9,12)
InChIKeyZKIJCDFJIWWLKR-UHFFFAOYSA-N
XLogP-0.11
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-1H,2H,3H,5H,6H-pyrrolo[2,3-c]pyridin-5-one
CID 71758441
1,2,3,5-Tetrahydro-6H-pyrrolo(3,2-c)pyridin-6-one
CID 12863119
1-Acetyl-1,2,3,5-tetrahydro-6H-pyrrolo[3,2-c]pyridin-6-one
CID 3645068
5-(pyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 9899071
N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]formamide
CID 21098583
6H-Pyrrolo[3,4-C]pyridin-6-one, 1,2,3,5-tetrahydro-2-methyl-
CID 45079775
2-Methyl-1H-pyrrolo[3,2-c]pyridin-6-ol
CID 53413097
1,3-dimethyl-2-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-6-one
CID 59974886
3-(Aminomethyl)-1,5-dihydropyrrolo[3,2-c]pyridin-6-one
CID 68532236
6-Hydroxy-5-aza-2-oxindole
CID 74892778
7-amino-2,3-dihydro-1H-indolizin-5-one
CID 82417470
2-(6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridin-1-yl)acetaldehyde
CID 88073419

Frequently Asked Questions

What is the IUPAC name of 6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-1-carbaldehyde?
The IUPAC name of 6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-1-carbaldehyde (CID 12926932) is 6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-1-carbaldehyde.
What is the SMILES notation for 6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-1-carbaldehyde?
The canonical SMILES for 6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-1-carbaldehyde is O=CN1CCc2c[nH]c(=O)cc21.
What is the InChIKey of 6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-1-carbaldehyde?
The InChIKey is ZKIJCDFJIWWLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-5-10-2-1-6-4-9-8(12)3-7(6)10/h3-5H,1-2H2,(H,9,12).
What are the key properties of 6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-1-carbaldehyde?
6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-1-carbaldehyde has a molecular weight of 164.16 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-1-carbaldehyde is sourced from PubChem (CID 12926932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).