2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol

C8H16NOP — CID 58885309

IUPAC2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
SMILESOC1CCC2CN(P)CC2C1
InChIInChI=1S/C8H16NOP/c10-8-2-1-6-4-9(11)5-7(6)3-8/h6-8,10H,1-5,11H2
InChIKeyZXEONEAJWSDYAG-UHFFFAOYSA-N
MW173.20 g/mol
LogP0.87
Rot. Bonds

About 2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol

2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol (PubChem CID 58885309) has the molecular formula C8H16NOP and a molecular weight of 173.20 g/mol. Its IUPAC name is 2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol.

Molecular Properties

Compound Name2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
PubChem CID58885309
Molecular FormulaC8H16NOP
Molecular Weight173.20 g/mol
Exact Mass173.10
IUPAC Name2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
SMILESOC1CCC2CN(P)CC2C1
InChIInChI=1S/C8H16NOP/c10-8-2-1-6-4-9(11)5-7(6)3-8/h6-8,10H,1-5,11H2
InChIKeyZXEONEAJWSDYAG-UHFFFAOYSA-N
XLogP0.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The IUPAC name of 2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol (CID 58885309) is 2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol.
What is the SMILES notation for 2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The canonical SMILES for 2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol is OC1CCC2CN(P)CC2C1.
What is the InChIKey of 2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The InChIKey is ZXEONEAJWSDYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NOP/c10-8-2-1-6-4-9(11)5-7(6)3-8/h6-8,10H,1-5,11H2.
What are the key properties of 2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol has a molecular weight of 173.20 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol is sourced from PubChem (CID 58885309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).