1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone

C12H15NO4 — CID 2225250

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C12H15NO4/c14-11(10-2-1-7-15-10)13-5-3-12(4-6-13)16-8-9-17-12/h1-2,7H,3-6,8-9H2
InChIKeyDYZVPUWXMPWZAG-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.26
Rot. Bonds1

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone (PubChem CID 2225250) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone
PubChem CID2225250
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C12H15NO4/c14-11(10-2-1-7-15-10)13-5-3-12(4-6-13)16-8-9-17-12/h1-2,7H,3-6,8-9H2
InChIKeyDYZVPUWXMPWZAG-UHFFFAOYSA-N
XLogP1.26
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone (CID 2225250) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone is O=C(c1ccco1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone?
The InChIKey is DYZVPUWXMPWZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-11(10-2-1-7-15-10)13-5-3-12(4-6-13)16-8-9-17-12/h1-2,7H,3-6,8-9H2.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone has a molecular weight of 237.25 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone is sourced from PubChem (CID 2225250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).