2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol;ethane

C12H23NO2 — CID 178169071

IUPAC2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol;ethane
SMILESCC.OCC1NCC2CCC=CCOC21
InChIInChI=1S/C10H17NO2.C2H6/c12-7-9-10-8(6-11-9)4-2-1-3-5-13-10;1-2/h1,3,8-12H,2,4-7H2;1-2H3
InChIKeyQGNSYJPZSNDUDS-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.33
Rot. Bonds1

About 2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol;ethane

2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol;ethane (PubChem CID 178169071) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol;ethane.

Molecular Properties

Compound Name2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol;ethane
PubChem CID178169071
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol;ethane
SMILESCC.OCC1NCC2CCC=CCOC21
InChIInChI=1S/C10H17NO2.C2H6/c12-7-9-10-8(6-11-9)4-2-1-3-5-13-10;1-2/h1,3,8-12H,2,4-7H2;1-2H3
InChIKeyQGNSYJPZSNDUDS-UHFFFAOYSA-N
XLogP1.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol;ethane?
The IUPAC name of 2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol;ethane (CID 178169071) is 2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol;ethane.
What is the SMILES notation for 2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol;ethane?
The canonical SMILES for 2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol;ethane is CC.OCC1NCC2CCC=CCOC21.
What is the InChIKey of 2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol;ethane?
The InChIKey is QGNSYJPZSNDUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2.C2H6/c12-7-9-10-8(6-11-9)4-2-1-3-5-13-10;1-2/h1,3,8-12H,2,4-7H2;1-2H3.
What are the key properties of 2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol;ethane?
2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol;ethane has a molecular weight of 213.32 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol;ethane is sourced from PubChem (CID 178169071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).