2,3,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-one

C7H9NO — CID 67206346

IUPAC2,3,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-one
SMILESO=C1CC=C2CNCC12
InChIInChI=1S/C7H9NO/c9-7-2-1-5-3-8-4-6(5)7/h1,6,8H,2-4H2
InChIKeyHUIBQHSLVUGYCA-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.10
Rot. Bonds

About 2,3,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-one

2,3,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-one (PubChem CID 67206346) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 2,3,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-one.

Molecular Properties

Compound Name2,3,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-one
PubChem CID67206346
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name2,3,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-one
SMILESO=C1CC=C2CNCC12
InChIInChI=1S/C7H9NO/c9-7-2-1-5-3-8-4-6(5)7/h1,6,8H,2-4H2
InChIKeyHUIBQHSLVUGYCA-UHFFFAOYSA-N
XLogP0.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-one?
The IUPAC name of 2,3,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-one (CID 67206346) is 2,3,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-one.
What is the SMILES notation for 2,3,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-one?
The canonical SMILES for 2,3,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-one is O=C1CC=C2CNCC12.
What is the InChIKey of 2,3,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-one?
The InChIKey is HUIBQHSLVUGYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c9-7-2-1-5-3-8-4-6(5)7/h1,6,8H,2-4H2.
What are the key properties of 2,3,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-one?
2,3,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-one has a molecular weight of 123.15 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-one is sourced from PubChem (CID 67206346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).