2-(3-hydroxypropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol

C11H21NO2 — CID 131014840

IUPAC2-(3-hydroxypropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
SMILESOCCCN1CC2CCC(O)CC2C1
InChIInChI=1S/C11H21NO2/c13-5-1-4-12-7-9-2-3-11(14)6-10(9)8-12/h9-11,13-14H,1-8H2
InChIKeyAZUFZBPZZXGSDO-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.46
Rot. Bonds3

About 2-(3-hydroxypropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol

2-(3-hydroxypropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol (PubChem CID 131014840) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
PubChem CID131014840
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(3-hydroxypropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
SMILESOCCCN1CC2CCC(O)CC2C1
InChIInChI=1S/C11H21NO2/c13-5-1-4-12-7-9-2-3-11(14)6-10(9)8-12/h9-11,13-14H,1-8H2
InChIKeyAZUFZBPZZXGSDO-UHFFFAOYSA-N
XLogP0.46
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Octahydro-1H-isoindol-5-OL
CID 53408677
5-Methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 57672091
(3aS,7aR)-5-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 57979735
2-Phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 58885309
octahydro-1H-isoindol-5-ol hydrochloride
CID 74890071
Ethane;2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 91116481
(3aR,7aS)-rel-Octahydro-1H-isoindol-5-ol
CID 118705044
(3aR,7aS)-5-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 134400034
(5S,6R,7aR)-6-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 134400255
(3aS,5S,6R,7aR)-6-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 134400259
(3aR,5S,7aS)-5-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 134400264
(5S,7aS)-5-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 134400308

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The IUPAC name of 2-(3-hydroxypropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol (CID 131014840) is 2-(3-hydroxypropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol.
What is the SMILES notation for 2-(3-hydroxypropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The canonical SMILES for 2-(3-hydroxypropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol is OCCCN1CC2CCC(O)CC2C1.
What is the InChIKey of 2-(3-hydroxypropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The InChIKey is AZUFZBPZZXGSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c13-5-1-4-12-7-9-2-3-11(14)6-10(9)8-12/h9-11,13-14H,1-8H2.
What are the key properties of 2-(3-hydroxypropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
2-(3-hydroxypropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol has a molecular weight of 199.29 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol is sourced from PubChem (CID 131014840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).