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

C10H19NO — CID 130987265

IUPAC2-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
SMILESCCN1CC2CCC(O)CC2C1
InChIInChI=1S/C10H19NO/c1-2-11-6-8-3-4-10(12)5-9(8)7-11/h8-10,12H,2-7H2,1H3
InChIKeyQEGHTFWWWHMZRU-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.10
Rot. Bonds1

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

2-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol (PubChem CID 130987265) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol.

Molecular Properties

Compound Name2-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
PubChem CID130987265
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
SMILESCCN1CC2CCC(O)CC2C1
InChIInChI=1S/C10H19NO/c1-2-11-6-8-3-4-10(12)5-9(8)7-11/h8-10,12H,2-7H2,1H3
InChIKeyQEGHTFWWWHMZRU-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-3-azabicyclo[3.1.0]hexane
CID 69176949
2-(2-bromoethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 131000722
5-chloro-2-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 130804481
(3R,5S)-1-ethylpiperidine-3,5-diol
CID 96570686
2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 21427660
2-but-3-enyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 130941371
2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 58885309
2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 131059460
1-ethylazetidin-3-ol;hydrochloride
CID 57415896
acetylene;1,4-dimethylcyclohexane;1-ethylazetidin-3-ol
CID 166536916
(3aR,6aR)-5-ethyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 170606863
1-ethyl-6-methylazepan-4-ol
CID 166157584

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The IUPAC name of 2-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol (CID 130987265) is 2-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol.
What is the SMILES notation for 2-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The canonical SMILES for 2-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol is CCN1CC2CCC(O)CC2C1.
What is the InChIKey of 2-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The InChIKey is QEGHTFWWWHMZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-11-6-8-3-4-10(12)5-9(8)7-11/h8-10,12H,2-7H2,1H3.
What are the key properties of 2-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
2-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol has a molecular weight of 169.27 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol is sourced from PubChem (CID 130987265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).