pyrrolo[2,3-b]pyridin-2-ylidenemethanone

C8H4N2O — CID 91127600

IUPACpyrrolo[2,3-b]pyridin-2-ylidenemethanone
SMILESO=C=C1C=c2cccnc2=N1
InChIInChI=1S/C8H4N2O/c11-5-7-4-6-2-1-3-9-8(6)10-7/h1-4H
InChIKeySQFSQGVDHIFVPH-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.79
Rot. Bonds

About pyrrolo[2,3-b]pyridin-2-ylidenemethanone

pyrrolo[2,3-b]pyridin-2-ylidenemethanone (PubChem CID 91127600) has the molecular formula C8H4N2O and a molecular weight of 144.13 g/mol. Its IUPAC name is pyrrolo[2,3-b]pyridin-2-ylidenemethanone.

Molecular Properties

Compound Namepyrrolo[2,3-b]pyridin-2-ylidenemethanone
PubChem CID91127600
Molecular FormulaC8H4N2O
Molecular Weight144.13 g/mol
Exact Mass144.03
IUPAC Namepyrrolo[2,3-b]pyridin-2-ylidenemethanone
SMILESO=C=C1C=c2cccnc2=N1
InChIInChI=1S/C8H4N2O/c11-5-7-4-6-2-1-3-9-8(6)10-7/h1-4H
InChIKeySQFSQGVDHIFVPH-UHFFFAOYSA-N
XLogP-0.79
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pyrrolonaphthyridinone
CID 132277487
Pyrimido[4,5-b]indol-2-one
CID 21868309
Pyrrolo[2,3-b]pyridin-2-one
CID 21907087
4,6,8,10-Tetrazatricyclo[7.4.0.02,7]trideca-1,3,6,8,10,12-hexaen-5-one
CID 66769975
Pyrido[2,3-e][1,4]diazepin-2-one
CID 91247423
3-Methylpyrrolo[2,3-b]pyridin-2-one
CID 140969854
2,4-Diazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,6,8,10-hexaene
CID 141055029
3,8,10-Triazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene
CID 141278147
2-Ethenylidenepyrrolo[2,3-b]pyridine
CID 149705473
Imidazo[4,5-c][1,8]naphthyridin-4-one
CID 150504878
7H-pyrimido[4,5-b]indole
CID 152703561
Hydron;pyrrolo[2,3-b]pyridin-2-one
CID 174546934

Frequently Asked Questions

What is the IUPAC name of pyrrolo[2,3-b]pyridin-2-ylidenemethanone?
The IUPAC name of pyrrolo[2,3-b]pyridin-2-ylidenemethanone (CID 91127600) is pyrrolo[2,3-b]pyridin-2-ylidenemethanone.
What is the SMILES notation for pyrrolo[2,3-b]pyridin-2-ylidenemethanone?
The canonical SMILES for pyrrolo[2,3-b]pyridin-2-ylidenemethanone is O=C=C1C=c2cccnc2=N1.
What is the InChIKey of pyrrolo[2,3-b]pyridin-2-ylidenemethanone?
The InChIKey is SQFSQGVDHIFVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2O/c11-5-7-4-6-2-1-3-9-8(6)10-7/h1-4H.
What are the key properties of pyrrolo[2,3-b]pyridin-2-ylidenemethanone?
pyrrolo[2,3-b]pyridin-2-ylidenemethanone has a molecular weight of 144.13 g/mol, XLogP of -0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[2,3-b]pyridin-2-ylidenemethanone is sourced from PubChem (CID 91127600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).