8-[2-(4-fluorophenyl)ethyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C17H21FN2O2 — CID 3077258

IUPAC8-[2-(4-fluorophenyl)ethyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(C)C(=O)OC12CCN(CCc1ccc(F)cc1)CC2
InChIInChI=1S/C17H21FN2O2/c1-13-17(22-16(21)19(13)2)8-11-20(12-9-17)10-7-14-3-5-15(18)6-4-14/h3-6H,1,7-12H2,2H3
InChIKeyWNXFWNVHRUTQLB-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.80
Rot. Bonds3

About 8-[2-(4-fluorophenyl)ethyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[2-(4-fluorophenyl)ethyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 3077258) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is 8-[2-(4-fluorophenyl)ethyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-(4-fluorophenyl)ethyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID3077258
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC Name8-[2-(4-fluorophenyl)ethyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(C)C(=O)OC12CCN(CCc1ccc(F)cc1)CC2
InChIInChI=1S/C17H21FN2O2/c1-13-17(22-16(21)19(13)2)8-11-20(12-9-17)10-7-14-3-5-15(18)6-4-14/h3-6H,1,7-12H2,2H3
InChIKeyWNXFWNVHRUTQLB-UHFFFAOYSA-N
XLogP2.80
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-fluorophenyl)ethyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-(4-fluorophenyl)ethyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 3077258) is 8-[2-(4-fluorophenyl)ethyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-(4-fluorophenyl)ethyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-(4-fluorophenyl)ethyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C=C1N(C)C(=O)OC12CCN(CCc1ccc(F)cc1)CC2.
What is the InChIKey of 8-[2-(4-fluorophenyl)ethyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is WNXFWNVHRUTQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-13-17(22-16(21)19(13)2)8-11-20(12-9-17)10-7-14-3-5-15(18)6-4-14/h3-6H,1,7-12H2,2H3.
What are the key properties of 8-[2-(4-fluorophenyl)ethyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-(4-fluorophenyl)ethyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 304.36 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-fluorophenyl)ethyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 3077258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).