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

C15H28N2O — CID 143290653

IUPAC2-butyl-3-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane
SMILESCC.CCCCC1=NC2(CCCC2)C(=O)N1CC
InChIInChI=1S/C13H22N2O.C2H6/c1-3-5-8-11-14-13(9-6-7-10-13)12(16)15(11)4-2;1-2/h3-10H2,1-2H3;1-2H3
InChIKeyNFJFRWKCRAJNAD-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.78
Rot. Bonds4

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

2-butyl-3-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane (PubChem CID 143290653) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-butyl-3-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane.

Molecular Properties

Compound Name2-butyl-3-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane
PubChem CID143290653
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-butyl-3-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane
SMILESCC.CCCCC1=NC2(CCCC2)C(=O)N1CC
InChIInChI=1S/C13H22N2O.C2H6/c1-3-5-8-11-14-13(9-6-7-10-13)12(16)15(11)4-2;1-2/h3-10H2,1-2H3;1-2H3
InChIKeyNFJFRWKCRAJNAD-UHFFFAOYSA-N
XLogP3.78
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Butyl-1,3-diazaspiro(4.4)non-1-en-4-one hydrochloride
CID 10176995
2-Butyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 10176511
2-(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)acetic acid
CID 162420310
3-Ethyl-9-(1-fluorocyclopentanecarbonyl)-2-propyl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
CID 170592133
2-Butyl-5-ethyl-5-(2-fluoroethyl)-3-methylimidazol-4-one
CID 170592378
2-Butyl-3-(2-methylpropyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 11708608
2-Propyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 15818745
3-Methyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 45088328
2-Butyl-3-pentyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 54398966
2-Butyl-3-methyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 54498555
2-Butan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 54556101
3-Tert-butyl-2-methanidyl-1,3-diazaspiro[4.4]non-1-en-4-one;tetrakis(vanadium)
CID 57540891

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane?
The IUPAC name of 2-butyl-3-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane (CID 143290653) is 2-butyl-3-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane.
What is the SMILES notation for 2-butyl-3-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane?
The canonical SMILES for 2-butyl-3-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane is CC.CCCCC1=NC2(CCCC2)C(=O)N1CC.
What is the InChIKey of 2-butyl-3-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane?
The InChIKey is NFJFRWKCRAJNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O.C2H6/c1-3-5-8-11-14-13(9-6-7-10-13)12(16)15(11)4-2;1-2/h3-10H2,1-2H3;1-2H3.
What are the key properties of 2-butyl-3-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane?
2-butyl-3-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane has a molecular weight of 252.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-ethyl-1,3-diazaspiro[4.4]non-1-en-4-one;ethane is sourced from PubChem (CID 143290653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).