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

C10H17NO2 — CID 178169072

IUPAC2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol
SMILESOCC1NCC2CCC=CCOC21
InChIInChI=1S/C10H17NO2/c12-7-9-10-8(6-11-9)4-2-1-3-5-13-10/h1,3,8-12H,2,4-7H2
InChIKeyQXGGPDHOQKTFCX-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.30
Rot. Bonds1

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

2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol (PubChem CID 178169072) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol.

Molecular Properties

Compound Name2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol
PubChem CID178169072
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol
SMILESOCC1NCC2CCC=CCOC21
InChIInChI=1S/C10H17NO2/c12-7-9-10-8(6-11-9)4-2-1-3-5-13-10/h1,3,8-12H,2,4-7H2
InChIKeyQXGGPDHOQKTFCX-UHFFFAOYSA-N
XLogP0.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol?
The IUPAC name of 2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol (CID 178169072) is 2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol.
What is the SMILES notation for 2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol?
The canonical SMILES for 2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol is OCC1NCC2CCC=CCOC21.
What is the InChIKey of 2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol?
The InChIKey is QXGGPDHOQKTFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-7-9-10-8(6-11-9)4-2-1-3-5-13-10/h1,3,8-12H,2,4-7H2.
What are the key properties of 2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol?
2,5,6,6a,7,8,9,9a-octahydrooxocino[2,3-c]pyrrol-9-ylmethanol has a molecular weight of 183.25 g/mol, XLogP of 0.30, 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 is sourced from PubChem (CID 178169072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).