bis(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanone

C15H24N2O5 — CID 91390637

IUPACbis(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanone
SMILESO=C(C1COC2(CCNCC2)O1)C1COC2(CCNCC2)O1
InChIInChI=1S/C15H24N2O5/c18-13(11-9-19-14(21-11)1-5-16-6-2-14)12-10-20-15(22-12)3-7-17-8-4-15/h11-12,16-17H,1-10H2
InChIKeyVOSVCSFALGCDOE-UHFFFAOYSA-N
MW312.37 g/mol
LogP-0.45
Rot. Bonds2

About bis(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanone

bis(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanone (PubChem CID 91390637) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is bis(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanone.

Molecular Properties

Compound Namebis(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanone
PubChem CID91390637
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Namebis(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanone
SMILESO=C(C1COC2(CCNCC2)O1)C1COC2(CCNCC2)O1
InChIInChI=1S/C15H24N2O5/c18-13(11-9-19-14(21-11)1-5-16-6-2-14)12-10-20-15(22-12)3-7-17-8-4-15/h11-12,16-17H,1-10H2
InChIKeyVOSVCSFALGCDOE-UHFFFAOYSA-N
XLogP-0.45
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of bis(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanone?
The IUPAC name of bis(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanone (CID 91390637) is bis(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanone.
What is the SMILES notation for bis(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanone?
The canonical SMILES for bis(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanone is O=C(C1COC2(CCNCC2)O1)C1COC2(CCNCC2)O1.
What is the InChIKey of bis(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanone?
The InChIKey is VOSVCSFALGCDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c18-13(11-9-19-14(21-11)1-5-16-6-2-14)12-10-20-15(22-12)3-7-17-8-4-15/h11-12,16-17H,1-10H2.
What are the key properties of bis(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanone?
bis(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanone has a molecular weight of 312.37 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanone is sourced from PubChem (CID 91390637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).