1-(7-methoxy-7-methyl-5-azaspiro[2.4]heptan-5-yl)ethanone

C10H17NO2 — CID 156737312

IUPAC1-(7-methoxy-7-methyl-5-azaspiro[2.4]heptan-5-yl)ethanone
SMILESCOC1(C)CN(C(C)=O)CC12CC2
InChIInChI=1S/C10H17NO2/c1-8(12)11-6-9(2,13-3)10(7-11)4-5-10/h4-7H2,1-3H3
InChIKeyFRFFZCJMZJKRMW-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.03
Rot. Bonds1

About 1-(7-methoxy-7-methyl-5-azaspiro[2.4]heptan-5-yl)ethanone

1-(7-methoxy-7-methyl-5-azaspiro[2.4]heptan-5-yl)ethanone (PubChem CID 156737312) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(7-methoxy-7-methyl-5-azaspiro[2.4]heptan-5-yl)ethanone.

Molecular Properties

Compound Name1-(7-methoxy-7-methyl-5-azaspiro[2.4]heptan-5-yl)ethanone
PubChem CID156737312
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(7-methoxy-7-methyl-5-azaspiro[2.4]heptan-5-yl)ethanone
SMILESCOC1(C)CN(C(C)=O)CC12CC2
InChIInChI=1S/C10H17NO2/c1-8(12)11-6-9(2,13-3)10(7-11)4-5-10/h4-7H2,1-3H3
InChIKeyFRFFZCJMZJKRMW-UHFFFAOYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-7-methyl-5-azaspiro[2.4]heptan-5-yl)ethanone?
The IUPAC name of 1-(7-methoxy-7-methyl-5-azaspiro[2.4]heptan-5-yl)ethanone (CID 156737312) is 1-(7-methoxy-7-methyl-5-azaspiro[2.4]heptan-5-yl)ethanone.
What is the SMILES notation for 1-(7-methoxy-7-methyl-5-azaspiro[2.4]heptan-5-yl)ethanone?
The canonical SMILES for 1-(7-methoxy-7-methyl-5-azaspiro[2.4]heptan-5-yl)ethanone is COC1(C)CN(C(C)=O)CC12CC2.
What is the InChIKey of 1-(7-methoxy-7-methyl-5-azaspiro[2.4]heptan-5-yl)ethanone?
The InChIKey is FRFFZCJMZJKRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(12)11-6-9(2,13-3)10(7-11)4-5-10/h4-7H2,1-3H3.
What are the key properties of 1-(7-methoxy-7-methyl-5-azaspiro[2.4]heptan-5-yl)ethanone?
1-(7-methoxy-7-methyl-5-azaspiro[2.4]heptan-5-yl)ethanone has a molecular weight of 183.25 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-7-methyl-5-azaspiro[2.4]heptan-5-yl)ethanone is sourced from PubChem (CID 156737312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).