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

C11H18N2O — CID 10176511

IUPAC2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCCCCC1=NC2(CCCC2)C(=O)N1
InChIInChI=1S/C11H18N2O/c1-2-3-6-9-12-10(14)11(13-9)7-4-5-8-11/h2-8H2,1H3,(H,12,13,14)
InChIKeyIWKWOYOVCXHXSS-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.02
Rot. Bonds3

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

2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one (PubChem CID 10176511) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one.

Molecular Properties

Compound Name2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one
PubChem CID10176511
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCCCCC1=NC2(CCCC2)C(=O)N1
InChIInChI=1S/C11H18N2O/c1-2-3-6-9-12-10(14)11(13-9)7-4-5-8-11/h2-8H2,1H3,(H,12,13,14)
InChIKeyIWKWOYOVCXHXSS-UHFFFAOYSA-N
XLogP2.02
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
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-(3,3-Difluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 22574667
2-(3,3,3-Trifluoropropyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 22574754
2-(1-Fluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 142619012
2-(4-Fluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 142619017
2-butyl-4,4-bis(2-fluoroethyl)-1H-imidazol-5-one
CID 170353554
2-Butyl-3-(2-methylpropyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 11708608
2-butyl-4,4-dimethyl-1H-imidazol-5-one
CID 15745372
2-Propyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 15818745
2-butyl-4-methyl-4-propan-2-yl-1H-imidazol-5-one
CID 19350166
2-Butyl-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 19379820
2-butyl-4-cyclohexyl-4-ethyl-1H-imidazol-5-one
CID 19422619

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The IUPAC name of 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one (CID 10176511) is 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one.
What is the SMILES notation for 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The canonical SMILES for 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one is CCCCC1=NC2(CCCC2)C(=O)N1.
What is the InChIKey of 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one?
The InChIKey is IWKWOYOVCXHXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-3-6-9-12-10(14)11(13-9)7-4-5-8-11/h2-8H2,1H3,(H,12,13,14).
What are the key properties of 2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one?
2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one has a molecular weight of 194.28 g/mol, XLogP of 2.02, 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 is sourced from PubChem (CID 10176511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).