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

Name: 2-propyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₂₁NO — CID 130941374

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	2-propyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
PubChem CID	130941374
Molecular Formula	C₁₁H₂₁NO
Molecular Weight	183.29 g/mol
Exact Mass	183.16
IUPAC Name	2-propyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
SMILES	CCCN1CC2CCC(O)CC2C1
InChI	InChI=1S/C11H21NO/c1-2-5-12-7-9-3-4-11(13)6-10(9)8-12/h9-11,13H,2-8H2,1H3
InChIKey	UYMLGHFVEUZSFR-UHFFFAOYSA-N
XLogP	1.49
TPSA	23.47 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	2
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	183.29
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

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).

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Sources

PubChem CID 130941374 — identifiers, structure, computed properties (public domain)

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