4-methyl-8-(spiro[3.3]heptan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one

C16H26N2O2 — CID 164638006

IUPAC4-methyl-8-(spiro[3.3]heptan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one
SMILESCN1C(=O)COC12CCN(CC1CC3(CCC3)C1)CC2
InChIInChI=1S/C16H26N2O2/c1-17-14(19)12-20-16(17)5-7-18(8-6-16)11-13-9-15(10-13)3-2-4-15/h13H,2-12H2,1H3
InChIKeyGWNGVCLSELNCAD-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.85
Rot. Bonds2

About 4-methyl-8-(spiro[3.3]heptan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one

4-methyl-8-(spiro[3.3]heptan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 164638006) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-methyl-8-(spiro[3.3]heptan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-methyl-8-(spiro[3.3]heptan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one
PubChem CID164638006
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-methyl-8-(spiro[3.3]heptan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one
SMILESCN1C(=O)COC12CCN(CC1CC3(CCC3)C1)CC2
InChIInChI=1S/C16H26N2O2/c1-17-14(19)12-20-16(17)5-7-18(8-6-16)11-13-9-15(10-13)3-2-4-15/h13H,2-12H2,1H3
InChIKeyGWNGVCLSELNCAD-UHFFFAOYSA-N
XLogP1.85
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-(spiro[3.3]heptan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-methyl-8-(spiro[3.3]heptan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one (CID 164638006) is 4-methyl-8-(spiro[3.3]heptan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-methyl-8-(spiro[3.3]heptan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-methyl-8-(spiro[3.3]heptan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one is CN1C(=O)COC12CCN(CC1CC3(CCC3)C1)CC2.
What is the InChIKey of 4-methyl-8-(spiro[3.3]heptan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is GWNGVCLSELNCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-17-14(19)12-20-16(17)5-7-18(8-6-16)11-13-9-15(10-13)3-2-4-15/h13H,2-12H2,1H3.
What are the key properties of 4-methyl-8-(spiro[3.3]heptan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
4-methyl-8-(spiro[3.3]heptan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 278.40 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-(spiro[3.3]heptan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 164638006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).