2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(oxan-3-yl)methanone

C14H23NO2 — CID 107138289

IUPAC2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(oxan-3-yl)methanone
SMILESO=C(C1CCCOC1)C1CC2CCCCC2N1
InChIInChI=1S/C14H23NO2/c16-14(11-5-3-7-17-9-11)13-8-10-4-1-2-6-12(10)15-13/h10-13,15H,1-9H2
InChIKeyMDGYTXLPZACNLI-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.90
Rot. Bonds2

About 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(oxan-3-yl)methanone

2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(oxan-3-yl)methanone (PubChem CID 107138289) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(oxan-3-yl)methanone.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(oxan-3-yl)methanone
PubChem CID107138289
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(oxan-3-yl)methanone
SMILESO=C(C1CCCOC1)C1CC2CCCCC2N1
InChIInChI=1S/C14H23NO2/c16-14(11-5-3-7-17-9-11)13-8-10-4-1-2-6-12(10)15-13/h10-13,15H,1-9H2
InChIKeyMDGYTXLPZACNLI-UHFFFAOYSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(oxan-3-yl)methanone?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(oxan-3-yl)methanone (CID 107138289) is 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(oxan-3-yl)methanone.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(oxan-3-yl)methanone?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(oxan-3-yl)methanone is O=C(C1CCCOC1)C1CC2CCCCC2N1.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(oxan-3-yl)methanone?
The InChIKey is MDGYTXLPZACNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c16-14(11-5-3-7-17-9-11)13-8-10-4-1-2-6-12(10)15-13/h10-13,15H,1-9H2.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(oxan-3-yl)methanone?
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(oxan-3-yl)methanone has a molecular weight of 237.34 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(oxan-3-yl)methanone is sourced from PubChem (CID 107138289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).