5-ethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one

C9H15NO — CID 178068575

IUPAC5-ethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one
SMILESCCC1CC2CNC(=O)C2C1
InChIInChI=1S/C9H15NO/c1-2-6-3-7-5-10-9(11)8(7)4-6/h6-8H,2-5H2,1H3,(H,10,11)
InChIKeyPCXNFRBSCMZIOF-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.17
Rot. Bonds1

About 5-ethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one

5-ethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one (PubChem CID 178068575) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 5-ethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one.

Molecular Properties

Compound Name5-ethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one
PubChem CID178068575
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name5-ethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one
SMILESCCC1CC2CNC(=O)C2C1
InChIInChI=1S/C9H15NO/c1-2-6-3-7-5-10-9(11)8(7)4-6/h6-8H,2-5H2,1H3,(H,10,11)
InChIKeyPCXNFRBSCMZIOF-UHFFFAOYSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one?
The IUPAC name of 5-ethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one (CID 178068575) is 5-ethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one.
What is the SMILES notation for 5-ethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one?
The canonical SMILES for 5-ethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one is CCC1CC2CNC(=O)C2C1.
What is the InChIKey of 5-ethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one?
The InChIKey is PCXNFRBSCMZIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-6-3-7-5-10-9(11)8(7)4-6/h6-8H,2-5H2,1H3,(H,10,11).
What are the key properties of 5-ethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one?
5-ethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one has a molecular weight of 153.22 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one is sourced from PubChem (CID 178068575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).