8-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one

C20H25NO3 — CID 132770129

IUPAC8-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one
SMILESO=C(Cc1ccc2c(c1)CCCC2)N1CCC2(CCCO2)C(=O)C1
InChIInChI=1S/C20H25NO3/c22-18-14-21(10-9-20(18)8-3-11-24-20)19(23)13-15-6-7-16-4-1-2-5-17(16)12-15/h6-7,12H,1-5,8-11,13-14H2
InChIKeyQUUJLWPGWQELIA-UHFFFAOYSA-N
MW327.42 g/mol
LogP2.46
Rot. Bonds2

About 8-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one

8-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one (PubChem CID 132770129) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 8-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name8-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one
PubChem CID132770129
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name8-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one
SMILESO=C(Cc1ccc2c(c1)CCCC2)N1CCC2(CCCO2)C(=O)C1
InChIInChI=1S/C20H25NO3/c22-18-14-21(10-9-20(18)8-3-11-24-20)19(23)13-15-6-7-16-4-1-2-5-17(16)12-15/h6-7,12H,1-5,8-11,13-14H2
InChIKeyQUUJLWPGWQELIA-UHFFFAOYSA-N
XLogP2.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one?
The IUPAC name of 8-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one (CID 132770129) is 8-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one.
What is the SMILES notation for 8-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one?
The canonical SMILES for 8-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one is O=C(Cc1ccc2c(c1)CCCC2)N1CCC2(CCCO2)C(=O)C1.
What is the InChIKey of 8-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one?
The InChIKey is QUUJLWPGWQELIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c22-18-14-21(10-9-20(18)8-3-11-24-20)19(23)13-15-6-7-16-4-1-2-5-17(16)12-15/h6-7,12H,1-5,8-11,13-14H2.
What are the key properties of 8-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one?
8-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one has a molecular weight of 327.42 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one is sourced from PubChem (CID 132770129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).