7-(2-ethylphenyl)-6-oxa-9-azaspiro[4.5]decane

C16H23NO — CID 65210933

IUPAC7-(2-ethylphenyl)-6-oxa-9-azaspiro[4.5]decane
SMILESCCc1ccccc1C1CNCC2(CCCC2)O1
InChIInChI=1S/C16H23NO/c1-2-13-7-3-4-8-14(13)15-11-17-12-16(18-15)9-5-6-10-16/h3-4,7-8,15,17H,2,5-6,9-12H2,1H3
InChIKeyGQFVANTUCQJBMV-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.22
Rot. Bonds2

About 7-(2-ethylphenyl)-6-oxa-9-azaspiro[4.5]decane

7-(2-ethylphenyl)-6-oxa-9-azaspiro[4.5]decane (PubChem CID 65210933) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 7-(2-ethylphenyl)-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name7-(2-ethylphenyl)-6-oxa-9-azaspiro[4.5]decane
PubChem CID65210933
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name7-(2-ethylphenyl)-6-oxa-9-azaspiro[4.5]decane
SMILESCCc1ccccc1C1CNCC2(CCCC2)O1
InChIInChI=1S/C16H23NO/c1-2-13-7-3-4-8-14(13)15-11-17-12-16(18-15)9-5-6-10-16/h3-4,7-8,15,17H,2,5-6,9-12H2,1H3
InChIKeyGQFVANTUCQJBMV-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2-ethylphenyl)-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 7-(2-ethylphenyl)-6-oxa-9-azaspiro[4.5]decane (CID 65210933) is 7-(2-ethylphenyl)-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 7-(2-ethylphenyl)-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 7-(2-ethylphenyl)-6-oxa-9-azaspiro[4.5]decane is CCc1ccccc1C1CNCC2(CCCC2)O1.
What is the InChIKey of 7-(2-ethylphenyl)-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is GQFVANTUCQJBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-13-7-3-4-8-14(13)15-11-17-12-16(18-15)9-5-6-10-16/h3-4,7-8,15,17H,2,5-6,9-12H2,1H3.
What are the key properties of 7-(2-ethylphenyl)-6-oxa-9-azaspiro[4.5]decane?
7-(2-ethylphenyl)-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 245.37 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethylphenyl)-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 65210933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).