2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C17H28N4O2 — CID 170592110

IUPAC2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCCCC1=NC2(CCN(C(=O)N3CCCC3)CC2)C(=O)N1C
InChIInChI=1S/C17H28N4O2/c1-3-4-7-14-18-17(15(22)19(14)2)8-12-21(13-9-17)16(23)20-10-5-6-11-20/h3-13H2,1-2H3
InChIKeyOQMMMYFUMHNTKY-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.10
Rot. Bonds3

About 2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 170592110) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID170592110
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCCCC1=NC2(CCN(C(=O)N3CCCC3)CC2)C(=O)N1C
InChIInChI=1S/C17H28N4O2/c1-3-4-7-14-18-17(15(22)19(14)2)8-12-21(13-9-17)16(23)20-10-5-6-11-20/h3-13H2,1-2H3
InChIKeyOQMMMYFUMHNTKY-UHFFFAOYSA-N
XLogP2.10
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Methylbutyl)-8-[(2-oxopyrrolidin-1-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46991451
2-Butyl-3-ethyl-8-(2-fluoro-2-methylpropanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592013
2-Butyl-3-methyl-8-(3,3,3-trifluoropropanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane
CID 170592101
2-Butyl-8-(3-fluoropropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592472
2-Butyl-8-(2-fluoro-2-methylpropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592509
2-Butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592209
2-Butyl-8-(3-fluoropropanoyl)-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592411
2-Butyl-3-ethyl-8-(4,4,4-trifluorobutanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592508
3-((1-(Cyclopropanecarbonyl)pyrrolidin-3-yl)methyl)-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 131742302
2-Butyl-3-ethyl-9-(pyrrolidine-1-carbonyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one
CID 170412172
3-(2-Butyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-3-oxopropanenitrile
CID 170592019
2-Butyl-3-ethyl-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane
CID 170592027

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 170592110) is 2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CCCCC1=NC2(CCN(C(=O)N3CCCC3)CC2)C(=O)N1C.
What is the InChIKey of 2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is OQMMMYFUMHNTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-3-4-7-14-18-17(15(22)19(14)2)8-12-21(13-9-17)16(23)20-10-5-6-11-20/h3-13H2,1-2H3.
What are the key properties of 2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 320.44 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-methyl-8-(pyrrolidine-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 170592110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).