2-butyl-3-(2-methylpropyl)-1,3-diazaspiro[4.4]non-1-en-4-one

C15H26N2O — CID 11708608

IUPAC2-butyl-3-(2-methylpropyl)-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCCCCC1=NC2(CCCC2)C(=O)N1CC(C)C
InChIInChI=1S/C15H26N2O/c1-4-5-8-13-16-15(9-6-7-10-15)14(18)17(13)11-12(2)3/h12H,4-11H2,1-3H3
InChIKeyXODAAVKFKYNUAP-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.39
Rot. Bonds5

About 2-butyl-3-(2-methylpropyl)-1,3-diazaspiro[4.4]non-1-en-4-one

2-butyl-3-(2-methylpropyl)-1,3-diazaspiro[4.4]non-1-en-4-one (PubChem CID 11708608) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-butyl-3-(2-methylpropyl)-1,3-diazaspiro[4.4]non-1-en-4-one.

Molecular Properties

Compound Name2-butyl-3-(2-methylpropyl)-1,3-diazaspiro[4.4]non-1-en-4-one
PubChem CID11708608
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-butyl-3-(2-methylpropyl)-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCCCCC1=NC2(CCCC2)C(=O)N1CC(C)C
InChIInChI=1S/C15H26N2O/c1-4-5-8-13-16-15(9-6-7-10-15)14(18)17(13)11-12(2)3/h12H,4-11H2,1-3H3
InChIKeyXODAAVKFKYNUAP-UHFFFAOYSA-N
XLogP3.39
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-(2-methylpropyl)-1,3-diazaspiro[4.4]non-1-en-4-one?
The IUPAC name of 2-butyl-3-(2-methylpropyl)-1,3-diazaspiro[4.4]non-1-en-4-one (CID 11708608) is 2-butyl-3-(2-methylpropyl)-1,3-diazaspiro[4.4]non-1-en-4-one.
What is the SMILES notation for 2-butyl-3-(2-methylpropyl)-1,3-diazaspiro[4.4]non-1-en-4-one?
The canonical SMILES for 2-butyl-3-(2-methylpropyl)-1,3-diazaspiro[4.4]non-1-en-4-one is CCCCC1=NC2(CCCC2)C(=O)N1CC(C)C.
What is the InChIKey of 2-butyl-3-(2-methylpropyl)-1,3-diazaspiro[4.4]non-1-en-4-one?
The InChIKey is XODAAVKFKYNUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-5-8-13-16-15(9-6-7-10-15)14(18)17(13)11-12(2)3/h12H,4-11H2,1-3H3.
What are the key properties of 2-butyl-3-(2-methylpropyl)-1,3-diazaspiro[4.4]non-1-en-4-one?
2-butyl-3-(2-methylpropyl)-1,3-diazaspiro[4.4]non-1-en-4-one has a molecular weight of 250.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-(2-methylpropyl)-1,3-diazaspiro[4.4]non-1-en-4-one is sourced from PubChem (CID 11708608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).