6-butyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one

C10H18N2O — CID 83238133

IUPAC6-butyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCCN1C(=O)C2(CC2)NC1C
InChIInChI=1S/C10H18N2O/c1-3-4-7-12-8(2)11-10(5-6-10)9(12)13/h8,11H,3-7H2,1-2H3
InChIKeyROZCTDPEMUFDND-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.10
Rot. Bonds3

About 6-butyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one

6-butyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83238133) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 6-butyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-butyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83238133
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name6-butyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCCN1C(=O)C2(CC2)NC1C
InChIInChI=1S/C10H18N2O/c1-3-4-7-12-8(2)11-10(5-6-10)9(12)13/h8,11H,3-7H2,1-2H3
InChIKeyROZCTDPEMUFDND-UHFFFAOYSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-butyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one (CID 83238133) is 6-butyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-butyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-butyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one is CCCCN1C(=O)C2(CC2)NC1C.
What is the InChIKey of 6-butyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is ROZCTDPEMUFDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-4-7-12-8(2)11-10(5-6-10)9(12)13/h8,11H,3-7H2,1-2H3.
What are the key properties of 6-butyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one?
6-butyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 182.27 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83238133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).