2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane

C13H24N2O — CID 142926632

IUPAC2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane
SMILESCC.CCCCC1=NC2(CCCC2)C(=O)N1
InChIInChI=1S/C11H18N2O.C2H6/c1-2-3-6-9-12-10(14)11(13-9)7-4-5-8-11;1-2/h2-8H2,1H3,(H,12,13,14);1-2H3
InChIKeyPFAZBCWYLWMBBE-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.04
Rot. Bonds3

About 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane

2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane (PubChem CID 142926632) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane.

Molecular Properties

Compound Name2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane
PubChem CID142926632
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane
SMILESCC.CCCCC1=NC2(CCCC2)C(=O)N1
InChIInChI=1S/C11H18N2O.C2H6/c1-2-3-6-9-12-10(14)11(13-9)7-4-5-8-11;1-2/h2-8H2,1H3,(H,12,13,14);1-2H3
InChIKeyPFAZBCWYLWMBBE-UHFFFAOYSA-N
XLogP3.04
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane?
The IUPAC name of 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane (CID 142926632) is 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane.
What is the SMILES notation for 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane?
The canonical SMILES for 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane is CC.CCCCC1=NC2(CCCC2)C(=O)N1.
What is the InChIKey of 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane?
The InChIKey is PFAZBCWYLWMBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.C2H6/c1-2-3-6-9-12-10(14)11(13-9)7-4-5-8-11;1-2/h2-8H2,1H3,(H,12,13,14);1-2H3.
What are the key properties of 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane?
2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane has a molecular weight of 224.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane is sourced from PubChem (CID 142926632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).