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

C11H21NO2 — CID 130899270

IUPAC2-(2-hydroxypropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
SMILESCC(O)CN1CC2CCC(O)CC2C1
InChIInChI=1S/C11H21NO2/c1-8(13)5-12-6-9-2-3-11(14)4-10(9)7-12/h8-11,13-14H,2-7H2,1H3
InChIKeyVXCXNDZPWBQYOH-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.46
Rot. Bonds2

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

2-(2-hydroxypropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol (PubChem CID 130899270) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol.

Molecular Properties

Compound Name2-(2-hydroxypropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
PubChem CID130899270
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(2-hydroxypropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
SMILESCC(O)CN1CC2CCC(O)CC2C1
InChIInChI=1S/C11H21NO2/c1-8(13)5-12-6-9-2-3-11(14)4-10(9)7-12/h8-11,13-14H,2-7H2,1H3
InChIKeyVXCXNDZPWBQYOH-UHFFFAOYSA-N
XLogP0.46
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

1,1-Dimethylethyl octahydro-5-hydroxy-2H-isoindole-2-carboxylate
CID 18670324
(3Ar,7as)-rel-2-boc-5-hydroxy-octahydro-2h-isoindole
CID 72207780
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
1-Methyl-2,3,3a,4,5,6,7,7a-octahydroindol-7-ol
CID 73847346
Ethane;2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 91116481
tert-butyl (3aS,5R,7aR)-rel-5-hydroxy-octahydro-1H-isoindole-2-carboxylate
CID 94863803
2H-Isoindole-2-carboxylic acid, octahydro-5-hydroxy-, 1,1-dimethylethyl ester, (3aR,5S,7aS)-rel-
CID 97290586
(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

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The IUPAC name of 2-(2-hydroxypropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol (CID 130899270) is 2-(2-hydroxypropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol.
What is the SMILES notation for 2-(2-hydroxypropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The canonical SMILES for 2-(2-hydroxypropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol is CC(O)CN1CC2CCC(O)CC2C1.
What is the InChIKey of 2-(2-hydroxypropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The InChIKey is VXCXNDZPWBQYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(13)5-12-6-9-2-3-11(14)4-10(9)7-12/h8-11,13-14H,2-7H2,1H3.
What are the key properties of 2-(2-hydroxypropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
2-(2-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, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol is sourced from PubChem (CID 130899270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).