6-(1-methoxypropan-2-yl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one

C12H22N2O2 — CID 83238722

IUPAC6-(1-methoxypropan-2-yl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCC1NC2(CC2)C(=O)N1C(C)COC
InChIInChI=1S/C12H22N2O2/c1-4-5-10-13-12(6-7-12)11(15)14(10)9(2)8-16-3/h9-10,13H,4-8H2,1-3H3
InChIKeyDAYQWHJHGSCDGQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.11
Rot. Bonds5

About 6-(1-methoxypropan-2-yl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one

6-(1-methoxypropan-2-yl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83238722) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 6-(1-methoxypropan-2-yl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(1-methoxypropan-2-yl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83238722
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name6-(1-methoxypropan-2-yl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCC1NC2(CC2)C(=O)N1C(C)COC
InChIInChI=1S/C12H22N2O2/c1-4-5-10-13-12(6-7-12)11(15)14(10)9(2)8-16-3/h9-10,13H,4-8H2,1-3H3
InChIKeyDAYQWHJHGSCDGQ-UHFFFAOYSA-N
XLogP1.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methoxypropan-2-yl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(1-methoxypropan-2-yl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one (CID 83238722) is 6-(1-methoxypropan-2-yl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(1-methoxypropan-2-yl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(1-methoxypropan-2-yl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one is CCCC1NC2(CC2)C(=O)N1C(C)COC.
What is the InChIKey of 6-(1-methoxypropan-2-yl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is DAYQWHJHGSCDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-5-10-13-12(6-7-12)11(15)14(10)9(2)8-16-3/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 6-(1-methoxypropan-2-yl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one?
6-(1-methoxypropan-2-yl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 226.32 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methoxypropan-2-yl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83238722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).