2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S)-3-bicyclo[5.2.0]non-8-enyl]methanone

C16H24N2O — CID 89149705

IUPAC2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S)-3-bicyclo[5.2.0]non-8-enyl]methanone
SMILESO=C(C1CCCC2C=C[C@@H]2C1)N1CC2CNCC2C1
InChIInChI=1S/C16H24N2O/c19-16(18-9-14-7-17-8-15(14)10-18)13-3-1-2-11-4-5-12(11)6-13/h4-5,11-15,17H,1-3,6-10H2/t11?,12-,13?,14?,15?/m1/s1
InChIKeyQLUGZSDEEZNPKQ-HLTWPCROSA-N
MW260.38 g/mol
LogP1.66
Rot. Bonds1

About 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S)-3-bicyclo[5.2.0]non-8-enyl]methanone

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S)-3-bicyclo[5.2.0]non-8-enyl]methanone (PubChem CID 89149705) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S)-3-bicyclo[5.2.0]non-8-enyl]methanone.

Molecular Properties

Compound Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S)-3-bicyclo[5.2.0]non-8-enyl]methanone
PubChem CID89149705
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S)-3-bicyclo[5.2.0]non-8-enyl]methanone
SMILESO=C(C1CCCC2C=C[C@@H]2C1)N1CC2CNCC2C1
InChIInChI=1S/C16H24N2O/c19-16(18-9-14-7-17-8-15(14)10-18)13-3-1-2-11-4-5-12(11)6-13/h4-5,11-15,17H,1-3,6-10H2/t11?,12-,13?,14?,15?/m1/s1
InChIKeyQLUGZSDEEZNPKQ-HLTWPCROSA-N
XLogP1.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S)-3-bicyclo[5.2.0]non-8-enyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S)-3-bicyclo[5.2.0]non-8-enyl]methanone?
The IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S)-3-bicyclo[5.2.0]non-8-enyl]methanone (CID 89149705) is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S)-3-bicyclo[5.2.0]non-8-enyl]methanone.
What is the SMILES notation for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S)-3-bicyclo[5.2.0]non-8-enyl]methanone?
The canonical SMILES for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S)-3-bicyclo[5.2.0]non-8-enyl]methanone is O=C(C1CCCC2C=C[C@@H]2C1)N1CC2CNCC2C1.
What is the InChIKey of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S)-3-bicyclo[5.2.0]non-8-enyl]methanone?
The InChIKey is QLUGZSDEEZNPKQ-HLTWPCROSA-N. The full InChI is InChI=1S/C16H24N2O/c19-16(18-9-14-7-17-8-15(14)10-18)13-3-1-2-11-4-5-12(11)6-13/h4-5,11-15,17H,1-3,6-10H2/t11?,12-,13?,14?,15?/m1/s1.
What are the key properties of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S)-3-bicyclo[5.2.0]non-8-enyl]methanone?
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S)-3-bicyclo[5.2.0]non-8-enyl]methanone has a molecular weight of 260.38 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S)-3-bicyclo[5.2.0]non-8-enyl]methanone is sourced from PubChem (CID 89149705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).