7-ethyl-5-[1-(3-methylbutyl)azetidin-3-yl]-4-oxa-7-azaspiro[2.5]octan-8-one

C16H28N2O2 — CID 129053760

IUPAC7-ethyl-5-[1-(3-methylbutyl)azetidin-3-yl]-4-oxa-7-azaspiro[2.5]octan-8-one
SMILESCCN1CC(C2CN(CCC(C)C)C2)OC2(CC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-4-18-11-14(20-16(6-7-16)15(18)19)13-9-17(10-13)8-5-12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyZYIMPKWZDCHQBW-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.74
Rot. Bonds5

About 7-ethyl-5-[1-(3-methylbutyl)azetidin-3-yl]-4-oxa-7-azaspiro[2.5]octan-8-one

7-ethyl-5-[1-(3-methylbutyl)azetidin-3-yl]-4-oxa-7-azaspiro[2.5]octan-8-one (PubChem CID 129053760) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 7-ethyl-5-[1-(3-methylbutyl)azetidin-3-yl]-4-oxa-7-azaspiro[2.5]octan-8-one.

Molecular Properties

Compound Name7-ethyl-5-[1-(3-methylbutyl)azetidin-3-yl]-4-oxa-7-azaspiro[2.5]octan-8-one
PubChem CID129053760
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name7-ethyl-5-[1-(3-methylbutyl)azetidin-3-yl]-4-oxa-7-azaspiro[2.5]octan-8-one
SMILESCCN1CC(C2CN(CCC(C)C)C2)OC2(CC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-4-18-11-14(20-16(6-7-16)15(18)19)13-9-17(10-13)8-5-12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyZYIMPKWZDCHQBW-UHFFFAOYSA-N
XLogP1.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-[1-(3-methylbutyl)azetidin-3-yl]-4-oxa-7-azaspiro[2.5]octan-8-one?
The IUPAC name of 7-ethyl-5-[1-(3-methylbutyl)azetidin-3-yl]-4-oxa-7-azaspiro[2.5]octan-8-one (CID 129053760) is 7-ethyl-5-[1-(3-methylbutyl)azetidin-3-yl]-4-oxa-7-azaspiro[2.5]octan-8-one.
What is the SMILES notation for 7-ethyl-5-[1-(3-methylbutyl)azetidin-3-yl]-4-oxa-7-azaspiro[2.5]octan-8-one?
The canonical SMILES for 7-ethyl-5-[1-(3-methylbutyl)azetidin-3-yl]-4-oxa-7-azaspiro[2.5]octan-8-one is CCN1CC(C2CN(CCC(C)C)C2)OC2(CC2)C1=O.
What is the InChIKey of 7-ethyl-5-[1-(3-methylbutyl)azetidin-3-yl]-4-oxa-7-azaspiro[2.5]octan-8-one?
The InChIKey is ZYIMPKWZDCHQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-18-11-14(20-16(6-7-16)15(18)19)13-9-17(10-13)8-5-12(2)3/h12-14H,4-11H2,1-3H3.
What are the key properties of 7-ethyl-5-[1-(3-methylbutyl)azetidin-3-yl]-4-oxa-7-azaspiro[2.5]octan-8-one?
7-ethyl-5-[1-(3-methylbutyl)azetidin-3-yl]-4-oxa-7-azaspiro[2.5]octan-8-one has a molecular weight of 280.41 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-[1-(3-methylbutyl)azetidin-3-yl]-4-oxa-7-azaspiro[2.5]octan-8-one is sourced from PubChem (CID 129053760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).