5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol

C9H17NO — CID 23205562

IUPAC5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol
SMILESCC1CCC2CNCC2C1O
InChIInChI=1S/C9H17NO/c1-6-2-3-7-4-10-5-8(7)9(6)11/h6-11H,2-5H2,1H3
InChIKeyJLMDAVNKMRMACL-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.61
Rot. Bonds

About 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol

5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol (PubChem CID 23205562) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol.

Molecular Properties

Compound Name5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol
PubChem CID23205562
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol
SMILESCC1CCC2CNCC2C1O
InChIInChI=1S/C9H17NO/c1-6-2-3-7-4-10-5-8(7)9(6)11/h6-11H,2-5H2,1H3
InChIKeyJLMDAVNKMRMACL-UHFFFAOYSA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Octahydro-1h-isoindol-4-ol
CID 18931574
7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol
CID 23205561
6-Methyl-4-perhydroisoindolol
CID 23205563
[(3aR,7aR)-octahydro-1H-isoindol-3a-yl]methanol
CID 45934299
(3aR,4S,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol
CID 54020061
(3aS,4S,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol
CID 57288759
(3aR,7R)-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol
CID 58905286
(3aR,4S,7S)-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol
CID 59101628
(3aR,4S,7R)-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol
CID 59101630
(3aR,4R,7aS)-2-methanidyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-2-ium-4-ol
CID 59704501
4-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
CID 59877211
3a,5,6,7a-tetramethyl-2,3,4,5,6,7-hexahydro-1H-isoindol-1-ol
CID 66665985

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol?
The IUPAC name of 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol (CID 23205562) is 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol.
What is the SMILES notation for 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol?
The canonical SMILES for 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol is CC1CCC2CNCC2C1O.
What is the InChIKey of 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol?
The InChIKey is JLMDAVNKMRMACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-6-2-3-7-4-10-5-8(7)9(6)11/h6-11H,2-5H2,1H3.
What are the key properties of 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol?
5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol has a molecular weight of 155.24 g/mol, XLogP of 0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol is sourced from PubChem (CID 23205562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).