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

C10H19NO — CID 146479103

IUPAC1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindol-3-ol
SMILESCCN1CC(O)C2CCCCC21
InChIInChI=1S/C10H19NO/c1-2-11-7-10(12)8-5-3-4-6-9(8)11/h8-10,12H,2-7H2,1H3
InChIKeyQLKVLEPQALGOHD-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.24
Rot. Bonds1

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

1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindol-3-ol (PubChem CID 146479103) 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-3-ol.

Molecular Properties

Compound Name1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindol-3-ol
PubChem CID146479103
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindol-3-ol
SMILESCCN1CC(O)C2CCCCC21
InChIInChI=1S/C10H19NO/c1-2-11-7-10(12)8-5-3-4-6-9(8)11/h8-10,12H,2-7H2,1H3
InChIKeyQLKVLEPQALGOHD-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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindol-3-ol?
The IUPAC name of 1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindol-3-ol (CID 146479103) is 1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindol-3-ol.
What is the SMILES notation for 1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindol-3-ol?
The canonical SMILES for 1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindol-3-ol is CCN1CC(O)C2CCCCC21.
What is the InChIKey of 1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindol-3-ol?
The InChIKey is QLKVLEPQALGOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-11-7-10(12)8-5-3-4-6-9(8)11/h8-10,12H,2-7H2,1H3.
What are the key properties of 1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindol-3-ol?
1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindol-3-ol 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-ethyl-2,3,3a,4,5,6,7,7a-octahydroindol-3-ol is sourced from PubChem (CID 146479103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).