2-(2,6-dichlorophenyl)-1-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone

C15H17Cl2NO2 — CID 96539404

IUPAC2-(2,6-dichlorophenyl)-1-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)N1CC[C@]2(CCOC2)C1
InChIInChI=1S/C15H17Cl2NO2/c16-12-2-1-3-13(17)11(12)8-14(19)18-6-4-15(9-18)5-7-20-10-15/h1-3H,4-10H2/t15-/m0/s1
InChIKeyQRYKMQSPKLBJML-HNNXBMFYSA-N
MW314.21 g/mol
LogP3.17
Rot. Bonds2

About 2-(2,6-dichlorophenyl)-1-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone

2-(2,6-dichlorophenyl)-1-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone (PubChem CID 96539404) has the molecular formula C15H17Cl2NO2 and a molecular weight of 314.21 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
PubChem CID96539404
Molecular FormulaC15H17Cl2NO2
Molecular Weight314.21 g/mol
Exact Mass313.06
IUPAC Name2-(2,6-dichlorophenyl)-1-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)N1CC[C@]2(CCOC2)C1
InChIInChI=1S/C15H17Cl2NO2/c16-12-2-1-3-13(17)11(12)8-14(19)18-6-4-15(9-18)5-7-20-10-15/h1-3H,4-10H2/t15-/m0/s1
InChIKeyQRYKMQSPKLBJML-HNNXBMFYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone (CID 96539404) is 2-(2,6-dichlorophenyl)-1-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone is O=C(Cc1c(Cl)cccc1Cl)N1CC[C@]2(CCOC2)C1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone?
The InChIKey is QRYKMQSPKLBJML-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17Cl2NO2/c16-12-2-1-3-13(17)11(12)8-14(19)18-6-4-15(9-18)5-7-20-10-15/h1-3H,4-10H2/t15-/m0/s1.
What are the key properties of 2-(2,6-dichlorophenyl)-1-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone?
2-(2,6-dichlorophenyl)-1-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone has a molecular weight of 314.21 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone is sourced from PubChem (CID 96539404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).