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

C11H21NO — CID 131167890

IUPAC2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propan-1-ol
SMILESCC(CO)N1CC2CCCCC2C1
InChIInChI=1S/C11H21NO/c1-9(8-13)12-6-10-4-2-3-5-11(10)7-12/h9-11,13H,2-8H2,1H3
InChIKeyAIJDZFDMHZCXJL-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.49
Rot. Bonds2

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

2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propan-1-ol (PubChem CID 131167890) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propan-1-ol
PubChem CID131167890
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propan-1-ol
SMILESCC(CO)N1CC2CCCCC2C1
InChIInChI=1S/C11H21NO/c1-9(8-13)12-6-10-4-2-3-5-11(10)7-12/h9-11,13H,2-8H2,1H3
InChIKeyAIJDZFDMHZCXJL-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 ≤ 500183.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propanamide
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4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pentanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propan-1-ol?
The IUPAC name of 2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propan-1-ol (CID 131167890) is 2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propan-1-ol.
What is the SMILES notation for 2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propan-1-ol?
The canonical SMILES for 2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propan-1-ol is CC(CO)N1CC2CCCCC2C1.
What is the InChIKey of 2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propan-1-ol?
The InChIKey is AIJDZFDMHZCXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(8-13)12-6-10-4-2-3-5-11(10)7-12/h9-11,13H,2-8H2,1H3.
What are the key properties of 2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propan-1-ol?
2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propan-1-ol has a molecular weight of 183.30 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-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propan-1-ol is sourced from PubChem (CID 131167890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).