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

C11H21NO — CID 130941374

IUPAC2-propyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
SMILESCCCN1CC2CCC(O)CC2C1
InChIInChI=1S/C11H21NO/c1-2-5-12-7-9-3-4-11(13)6-10(9)8-12/h9-11,13H,2-8H2,1H3
InChIKeyUYMLGHFVEUZSFR-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.49
Rot. Bonds2

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

2-propyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol (PubChem CID 130941374) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-propyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol.

Molecular Properties

Compound Name2-propyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
PubChem CID130941374
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-propyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
SMILESCCCN1CC2CCC(O)CC2C1
InChIInChI=1S/C11H21NO/c1-2-5-12-7-9-3-4-11(13)6-10(9)8-12/h9-11,13H,2-8H2,1H3
InChIKeyUYMLGHFVEUZSFR-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The IUPAC name of 2-propyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol (CID 130941374) is 2-propyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol.
What is the SMILES notation for 2-propyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The canonical SMILES for 2-propyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol is CCCN1CC2CCC(O)CC2C1.
What is the InChIKey of 2-propyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The InChIKey is UYMLGHFVEUZSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-5-12-7-9-3-4-11(13)6-10(9)8-12/h9-11,13H,2-8H2,1H3.
What are the key properties of 2-propyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
2-propyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol has a molecular weight of 183.29 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol is sourced from PubChem (CID 130941374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).