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

C10H19NO — CID 146479102

IUPAC1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-ol
SMILESCCN1C(O)CC2CCCCC21
InChIInChI=1S/C10H19NO/c1-2-11-9-6-4-3-5-8(9)7-10(11)12/h8-10,12H,2-7H2,1H3
InChIKeyQHIJUDBGXLGXOV-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.59
Rot. Bonds1

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

1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-ol (PubChem CID 146479102) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-ol.

Molecular Properties

Compound Name1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-ol
PubChem CID146479102
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-ol
SMILESCCN1C(O)CC2CCCCC21
InChIInChI=1S/C10H19NO/c1-2-11-9-6-4-3-5-8(9)7-10(11)12/h8-10,12H,2-7H2,1H3
InChIKeyQHIJUDBGXLGXOV-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-ol?
The IUPAC name of 1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-ol (CID 146479102) is 1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-ol.
What is the SMILES notation for 1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-ol?
The canonical SMILES for 1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-ol is CCN1C(O)CC2CCCCC21.
What is the InChIKey of 1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-ol?
The InChIKey is QHIJUDBGXLGXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-11-9-6-4-3-5-8(9)7-10(11)12/h8-10,12H,2-7H2,1H3.
What are the key properties of 1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-ol?
1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-ol has a molecular weight of 169.27 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-ol is sourced from PubChem (CID 146479102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).