(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl)methanol

C10H19NO — CID 168881511

IUPAC(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl)methanol
SMILESCN1C(CO)CC2CCCCC21
InChIInChI=1S/C10H19NO/c1-11-9(7-12)6-8-4-2-3-5-10(8)11/h8-10,12H,2-7H2,1H3
InChIKeyFEZOPHXZURQGME-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.24
Rot. Bonds1

About (1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl)methanol

(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl)methanol (PubChem CID 168881511) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl)methanol.

Molecular Properties

Compound Name(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl)methanol
PubChem CID168881511
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl)methanol
SMILESCN1C(CO)CC2CCCCC21
InChIInChI=1S/C10H19NO/c1-11-9(7-12)6-8-4-2-3-5-10(8)11/h8-10,12H,2-7H2,1H3
InChIKeyFEZOPHXZURQGME-UHFFFAOYSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl)methanol?
The IUPAC name of (1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl)methanol (CID 168881511) is (1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl)methanol.
What is the SMILES notation for (1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl)methanol?
The canonical SMILES for (1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl)methanol is CN1C(CO)CC2CCCCC21.
What is the InChIKey of (1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl)methanol?
The InChIKey is FEZOPHXZURQGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-11-9(7-12)6-8-4-2-3-5-10(8)11/h8-10,12H,2-7H2,1H3.
What are the key properties of (1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl)methanol?
(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl)methanol has a molecular weight of 169.27 g/mol, XLogP of 1.24, 1 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-2-yl)methanol is sourced from PubChem (CID 168881511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).