1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-ol

C9H17NO — CID 82651881

IUPAC1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-ol
SMILESCN1CCC2CCC(O)CC21
InChIInChI=1S/C9H17NO/c1-10-5-4-7-2-3-8(11)6-9(7)10/h7-9,11H,2-6H2,1H3
InChIKeyRKOCDJXFGLQLOC-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.85
Rot. Bonds

About 1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-ol

1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-ol (PubChem CID 82651881) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-ol.

Molecular Properties

Compound Name1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-ol
PubChem CID82651881
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-ol
SMILESCN1CCC2CCC(O)CC21
InChIInChI=1S/C9H17NO/c1-10-5-4-7-2-3-8(11)6-9(7)10/h7-9,11H,2-6H2,1H3
InChIKeyRKOCDJXFGLQLOC-UHFFFAOYSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-ol?
The IUPAC name of 1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-ol (CID 82651881) is 1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-ol.
What is the SMILES notation for 1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-ol?
The canonical SMILES for 1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-ol is CN1CCC2CCC(O)CC21.
What is the InChIKey of 1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-ol?
The InChIKey is RKOCDJXFGLQLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-10-5-4-7-2-3-8(11)6-9(7)10/h7-9,11H,2-6H2,1H3.
What are the key properties of 1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-ol?
1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-ol has a molecular weight of 155.24 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-ol is sourced from PubChem (CID 82651881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).