pyrrol-2-ylidenemethanone

C5H3NO — CID 12913532

IUPACpyrrol-2-ylidenemethanone
SMILESO=C=C1C=CC=N1
InChIInChI=1S/C5H3NO/c7-4-5-2-1-3-6-5/h1-3H
InChIKeySOYVXACDRYECMW-UHFFFAOYSA-N
MW93.08 g/mol
LogP0.34
Rot. Bonds

About pyrrol-2-ylidenemethanone

pyrrol-2-ylidenemethanone (PubChem CID 12913532) has the molecular formula C5H3NO and a molecular weight of 93.08 g/mol. Its IUPAC name is pyrrol-2-ylidenemethanone.

Molecular Properties

Compound Namepyrrol-2-ylidenemethanone
PubChem CID12913532
Molecular FormulaC5H3NO
Molecular Weight93.08 g/mol
Exact Mass93.02
IUPAC Namepyrrol-2-ylidenemethanone
SMILESO=C=C1C=CC=N1
InChIInChI=1S/C5H3NO/c7-4-5-2-1-3-6-5/h1-3H
InChIKeySOYVXACDRYECMW-UHFFFAOYSA-N
XLogP0.34
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.08
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pyrrol-2-ylidenemethanone?
The IUPAC name of pyrrol-2-ylidenemethanone (CID 12913532) is pyrrol-2-ylidenemethanone.
What is the SMILES notation for pyrrol-2-ylidenemethanone?
The canonical SMILES for pyrrol-2-ylidenemethanone is O=C=C1C=CC=N1.
What is the InChIKey of pyrrol-2-ylidenemethanone?
The InChIKey is SOYVXACDRYECMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3NO/c7-4-5-2-1-3-6-5/h1-3H.
What are the key properties of pyrrol-2-ylidenemethanone?
pyrrol-2-ylidenemethanone has a molecular weight of 93.08 g/mol, XLogP of 0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrol-2-ylidenemethanone is sourced from PubChem (CID 12913532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).