1-oxa-8-azaspiro[4.5]decan-3-yl N,N-dimethylcarbamate

C11H20N2O3 — CID 102930688

IUPAC1-oxa-8-azaspiro[4.5]decan-3-yl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC1COC2(CCNCC2)C1
InChIInChI=1S/C11H20N2O3/c1-13(2)10(14)16-9-7-11(15-8-9)3-5-12-6-4-11/h9,12H,3-8H2,1-2H3
InChIKeyBUCCKUKIQUJLGE-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.60
Rot. Bonds1

About 1-oxa-8-azaspiro[4.5]decan-3-yl N,N-dimethylcarbamate

1-oxa-8-azaspiro[4.5]decan-3-yl N,N-dimethylcarbamate (PubChem CID 102930688) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-oxa-8-azaspiro[4.5]decan-3-yl N,N-dimethylcarbamate.

Molecular Properties

Compound Name1-oxa-8-azaspiro[4.5]decan-3-yl N,N-dimethylcarbamate
PubChem CID102930688
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-oxa-8-azaspiro[4.5]decan-3-yl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC1COC2(CCNCC2)C1
InChIInChI=1S/C11H20N2O3/c1-13(2)10(14)16-9-7-11(15-8-9)3-5-12-6-4-11/h9,12H,3-8H2,1-2H3
InChIKeyBUCCKUKIQUJLGE-UHFFFAOYSA-N
XLogP0.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-8-azaspiro[4.5]decan-3-yl N,N-dimethylcarbamate?
The IUPAC name of 1-oxa-8-azaspiro[4.5]decan-3-yl N,N-dimethylcarbamate (CID 102930688) is 1-oxa-8-azaspiro[4.5]decan-3-yl N,N-dimethylcarbamate.
What is the SMILES notation for 1-oxa-8-azaspiro[4.5]decan-3-yl N,N-dimethylcarbamate?
The canonical SMILES for 1-oxa-8-azaspiro[4.5]decan-3-yl N,N-dimethylcarbamate is CN(C)C(=O)OC1COC2(CCNCC2)C1.
What is the InChIKey of 1-oxa-8-azaspiro[4.5]decan-3-yl N,N-dimethylcarbamate?
The InChIKey is BUCCKUKIQUJLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-13(2)10(14)16-9-7-11(15-8-9)3-5-12-6-4-11/h9,12H,3-8H2,1-2H3.
What are the key properties of 1-oxa-8-azaspiro[4.5]decan-3-yl N,N-dimethylcarbamate?
1-oxa-8-azaspiro[4.5]decan-3-yl N,N-dimethylcarbamate has a molecular weight of 228.29 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-8-azaspiro[4.5]decan-3-yl N,N-dimethylcarbamate is sourced from PubChem (CID 102930688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).