8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one

C16H18FNO3 — CID 74233789

IUPAC8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESO=C1OCC2(CCN(C/C=C/c3ccc(F)cc3)CC2)O1
InChIInChI=1S/C16H18FNO3/c17-14-5-3-13(4-6-14)2-1-9-18-10-7-16(8-11-18)12-20-15(19)21-16/h1-6H,7-12H2/b2-1+
InChIKeySGFRURYNIFJKNM-OWOJBTEDSA-N
MW291.32 g/mol
LogP2.84
Rot. Bonds3

About 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one

8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one (PubChem CID 74233789) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
PubChem CID74233789
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESO=C1OCC2(CCN(C/C=C/c3ccc(F)cc3)CC2)O1
InChIInChI=1S/C16H18FNO3/c17-14-5-3-13(4-6-14)2-1-9-18-10-7-16(8-11-18)12-20-15(19)21-16/h1-6H,7-12H2/b2-1+
InChIKeySGFRURYNIFJKNM-OWOJBTEDSA-N
XLogP2.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one with MolForge

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Related Compounds

AJ-190/13485012
CID 899309
8-[4,4-Bis(4-fluorophenyl)-3-butenyl]-4-methylene-2-oxo-1,3-dioxa-8-azaspiro[4,5]decane
CID 19887352
8-Benzyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 726449
8-[4,4-Bis(4-fluorophenyl)butyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 69024312
8-(2,2-Diphenylethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 74242620
8-(2,3-Difluoro-4-methylbenzyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 77094668
8-[4,4-Bis(4-fluorophenyl)butyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 3077291
8-[(2-Fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6464317
8-[(3-Fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6466091
8-[(4-Fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6467323
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 15192595
8-[3-[2-(4-Fluorophenyl)ethoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 22977307

Frequently Asked Questions

What is the IUPAC name of 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one (CID 74233789) is 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one is O=C1OCC2(CCN(C/C=C/c3ccc(F)cc3)CC2)O1.
What is the InChIKey of 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The InChIKey is SGFRURYNIFJKNM-OWOJBTEDSA-N. The full InChI is InChI=1S/C16H18FNO3/c17-14-5-3-13(4-6-14)2-1-9-18-10-7-16(8-11-18)12-20-15(19)21-16/h1-6H,7-12H2/b2-1+.
What are the key properties of 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one has a molecular weight of 291.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 74233789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).