2-butyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C14H25N3O — CID 170592229

IUPAC2-butyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCCCC1=NC2(CCNCC2)C(=O)N1C(C)C
InChIInChI=1S/C14H25N3O/c1-4-5-6-12-16-14(7-9-15-10-8-14)13(18)17(12)11(2)3/h11,15H,4-10H2,1-3H3
InChIKeyHCDSBPGMFPXDCB-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.95
Rot. Bonds4

About 2-butyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-butyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 170592229) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-butyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-butyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID170592229
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-butyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCCCC1=NC2(CCNCC2)C(=O)N1C(C)C
InChIInChI=1S/C14H25N3O/c1-4-5-6-12-16-14(7-9-15-10-8-14)13(18)17(12)11(2)3/h11,15H,4-10H2,1-3H3
InChIKeyHCDSBPGMFPXDCB-UHFFFAOYSA-N
XLogP1.95
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
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-(3-Methylbutyl)-8-(4-oxopentanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46992235
Ethyl 2-(3-methylbutyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 50950780
Methyl 2-(3-methylbutyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 50954799
2-cyclopropyl-N-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 46985220
8-[(2S)-1-(azepan-1-yl)propan-2-yl]-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 95047136
2-(8,8,8-Trifluorooctyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 118667401
2-Butyl-3-ethyl-8-(2-fluoro-2-methylpropanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592013
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
(8S)-2,2,8-tri(propan-2-yl)-7,8-dihydro-5H-imidazo[1,2-a]pyrazine-3,6-dione
CID 139055047
2-Methyl-8-(4,4,4-trifluorobutanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 145937615

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-butyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 170592229) is 2-butyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-butyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-butyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CCCCC1=NC2(CCNCC2)C(=O)N1C(C)C.
What is the InChIKey of 2-butyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is HCDSBPGMFPXDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-5-6-12-16-14(7-9-15-10-8-14)13(18)17(12)11(2)3/h11,15H,4-10H2,1-3H3.
What are the key properties of 2-butyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-butyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 251.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 170592229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).