2-butyl-3-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbaldehyde

C14H23N3O2 — CID 170592336

IUPAC2-butyl-3-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbaldehyde
SMILESCCCCC1=NC2(CCN(C=O)CC2)C(=O)N1CC
InChIInChI=1S/C14H23N3O2/c1-3-5-6-12-15-14(13(19)17(12)4-2)7-9-16(11-18)10-8-14/h11H,3-10H2,1-2H3
InChIKeyBNBQUNBHWTWHMO-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.43
Rot. Bonds5

About 2-butyl-3-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbaldehyde

2-butyl-3-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbaldehyde (PubChem CID 170592336) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-butyl-3-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbaldehyde.

Molecular Properties

Compound Name2-butyl-3-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbaldehyde
PubChem CID170592336
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-butyl-3-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbaldehyde
SMILESCCCCC1=NC2(CCN(C=O)CC2)C(=O)N1CC
InChIInChI=1S/C14H23N3O2/c1-3-5-6-12-15-14(13(19)17(12)4-2)7-9-16(11-18)10-8-14/h11H,3-10H2,1-2H3
InChIKeyBNBQUNBHWTWHMO-UHFFFAOYSA-N
XLogP1.43
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

Methyl 2-(3-methylbutyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 50954799
2-Butyl-8-(2,2,3,3,3-pentafluoropropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170411849
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-(2,2-difluoropropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592065
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-(2,2-difluoropropanoyl)-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592433
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-methyl-8-(3,3,3-trifluoropropanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592102
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

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbaldehyde?
The IUPAC name of 2-butyl-3-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbaldehyde (CID 170592336) is 2-butyl-3-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbaldehyde.
What is the SMILES notation for 2-butyl-3-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbaldehyde?
The canonical SMILES for 2-butyl-3-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbaldehyde is CCCCC1=NC2(CCN(C=O)CC2)C(=O)N1CC.
What is the InChIKey of 2-butyl-3-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbaldehyde?
The InChIKey is BNBQUNBHWTWHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-5-6-12-15-14(13(19)17(12)4-2)7-9-16(11-18)10-8-14/h11H,3-10H2,1-2H3.
What are the key properties of 2-butyl-3-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbaldehyde?
2-butyl-3-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbaldehyde has a molecular weight of 265.36 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbaldehyde is sourced from PubChem (CID 170592336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).