2,3,3a,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-ylidenemethanone

C8H9NO — CID 141000711

IUPAC2,3,3a,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-ylidenemethanone
SMILESO=C=C1C=CC2CNCC12
InChIInChI=1S/C8H9NO/c10-5-7-2-1-6-3-9-4-8(6)7/h1-2,6,8-9H,3-4H2
InChIKeyWMYYGMGKNUTOOZ-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.15
Rot. Bonds

About 2,3,3a,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-ylidenemethanone

2,3,3a,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-ylidenemethanone (PubChem CID 141000711) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2,3,3a,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-ylidenemethanone.

Molecular Properties

Compound Name2,3,3a,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-ylidenemethanone
PubChem CID141000711
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2,3,3a,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-ylidenemethanone
SMILESO=C=C1C=CC2CNCC12
InChIInChI=1S/C8H9NO/c10-5-7-2-1-6-3-9-4-8(6)7/h1-2,6,8-9H,3-4H2
InChIKeyWMYYGMGKNUTOOZ-UHFFFAOYSA-N
XLogP0.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.15
H-Bond Donors ≤ 51
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 2,3,3a,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-ylidenemethanone?
The IUPAC name of 2,3,3a,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-ylidenemethanone (CID 141000711) is 2,3,3a,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-ylidenemethanone.
What is the SMILES notation for 2,3,3a,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-ylidenemethanone?
The canonical SMILES for 2,3,3a,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-ylidenemethanone is O=C=C1C=CC2CNCC12.
What is the InChIKey of 2,3,3a,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-ylidenemethanone?
The InChIKey is WMYYGMGKNUTOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c10-5-7-2-1-6-3-9-4-8(6)7/h1-2,6,8-9H,3-4H2.
What are the key properties of 2,3,3a,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-ylidenemethanone?
2,3,3a,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-ylidenemethanone has a molecular weight of 135.17 g/mol, XLogP of 0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-ylidenemethanone is sourced from PubChem (CID 141000711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).