(6-methyl-2,3,3a,6,7,7a-hexahydro-1H-indol-2-yl)methanol

C10H17NO — CID 89219129

IUPAC(6-methyl-2,3,3a,6,7,7a-hexahydro-1H-indol-2-yl)methanol
SMILESCC1C=CC2CC(CO)NC2C1
InChIInChI=1S/C10H17NO/c1-7-2-3-8-5-9(6-12)11-10(8)4-7/h2-3,7-12H,4-6H2,1H3
InChIKeyOIBOQMBKPJFGAC-UHFFFAOYSA-N
MW167.25 g/mol
LogP0.92
Rot. Bonds1

About (6-methyl-2,3,3a,6,7,7a-hexahydro-1H-indol-2-yl)methanol

(6-methyl-2,3,3a,6,7,7a-hexahydro-1H-indol-2-yl)methanol (PubChem CID 89219129) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (6-methyl-2,3,3a,6,7,7a-hexahydro-1H-indol-2-yl)methanol.

Molecular Properties

Compound Name(6-methyl-2,3,3a,6,7,7a-hexahydro-1H-indol-2-yl)methanol
PubChem CID89219129
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(6-methyl-2,3,3a,6,7,7a-hexahydro-1H-indol-2-yl)methanol
SMILESCC1C=CC2CC(CO)NC2C1
InChIInChI=1S/C10H17NO/c1-7-2-3-8-5-9(6-12)11-10(8)4-7/h2-3,7-12H,4-6H2,1H3
InChIKeyOIBOQMBKPJFGAC-UHFFFAOYSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-2,3,3a,6,7,7a-hexahydro-1H-indol-2-yl)methanol?
The IUPAC name of (6-methyl-2,3,3a,6,7,7a-hexahydro-1H-indol-2-yl)methanol (CID 89219129) is (6-methyl-2,3,3a,6,7,7a-hexahydro-1H-indol-2-yl)methanol.
What is the SMILES notation for (6-methyl-2,3,3a,6,7,7a-hexahydro-1H-indol-2-yl)methanol?
The canonical SMILES for (6-methyl-2,3,3a,6,7,7a-hexahydro-1H-indol-2-yl)methanol is CC1C=CC2CC(CO)NC2C1.
What is the InChIKey of (6-methyl-2,3,3a,6,7,7a-hexahydro-1H-indol-2-yl)methanol?
The InChIKey is OIBOQMBKPJFGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7-2-3-8-5-9(6-12)11-10(8)4-7/h2-3,7-12H,4-6H2,1H3.
What are the key properties of (6-methyl-2,3,3a,6,7,7a-hexahydro-1H-indol-2-yl)methanol?
(6-methyl-2,3,3a,6,7,7a-hexahydro-1H-indol-2-yl)methanol has a molecular weight of 167.25 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2,3,3a,6,7,7a-hexahydro-1H-indol-2-yl)methanol is sourced from PubChem (CID 89219129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).