1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-cyclopent-2-en-1-ylethanone

C13H20N2O — CID 66212566

IUPAC1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-cyclopent-2-en-1-ylethanone
SMILESO=C(CC1C=CCC1)N1CC2CNCC2C1
InChIInChI=1S/C13H20N2O/c16-13(5-10-3-1-2-4-10)15-8-11-6-14-7-12(11)9-15/h1,3,10-12,14H,2,4-9H2
InChIKeyRYMXJZNEGMFOBP-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.02
Rot. Bonds2

About 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-cyclopent-2-en-1-ylethanone

1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-cyclopent-2-en-1-ylethanone (PubChem CID 66212566) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-cyclopent-2-en-1-ylethanone.

Molecular Properties

Compound Name1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-cyclopent-2-en-1-ylethanone
PubChem CID66212566
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-cyclopent-2-en-1-ylethanone
SMILESO=C(CC1C=CCC1)N1CC2CNCC2C1
InChIInChI=1S/C13H20N2O/c16-13(5-10-3-1-2-4-10)15-8-11-6-14-7-12(11)9-15/h1,3,10-12,14H,2,4-9H2
InChIKeyRYMXJZNEGMFOBP-UHFFFAOYSA-N
XLogP1.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.02
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 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-cyclopent-2-en-1-ylethanone?
The IUPAC name of 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-cyclopent-2-en-1-ylethanone (CID 66212566) is 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-cyclopent-2-en-1-ylethanone.
What is the SMILES notation for 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-cyclopent-2-en-1-ylethanone?
The canonical SMILES for 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-cyclopent-2-en-1-ylethanone is O=C(CC1C=CCC1)N1CC2CNCC2C1.
What is the InChIKey of 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-cyclopent-2-en-1-ylethanone?
The InChIKey is RYMXJZNEGMFOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c16-13(5-10-3-1-2-4-10)15-8-11-6-14-7-12(11)9-15/h1,3,10-12,14H,2,4-9H2.
What are the key properties of 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-cyclopent-2-en-1-ylethanone?
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-cyclopent-2-en-1-ylethanone has a molecular weight of 220.32 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-cyclopent-2-en-1-ylethanone is sourced from PubChem (CID 66212566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).