7-octanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C14H23N3O3 — CID 78995995

IUPAC7-octanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCCCCCCCC(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C14H23N3O3/c1-2-3-4-5-6-7-11(18)17-9-8-14(10-17)12(19)15-13(20)16-14/h2-10H2,1H3,(H2,15,16,19,20)
InChIKeyBEOQJHLFQCXWKR-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.16
Rot. Bonds6

About 7-octanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione

7-octanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 78995995) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 7-octanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-octanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID78995995
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name7-octanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCCCCCCCC(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C14H23N3O3/c1-2-3-4-5-6-7-11(18)17-9-8-14(10-17)12(19)15-13(20)16-14/h2-10H2,1H3,(H2,15,16,19,20)
InChIKeyBEOQJHLFQCXWKR-UHFFFAOYSA-N
XLogP1.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-pentanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996234
8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109419
7-(2-propoxyacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 113239192
8-(4-aminobutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 54873031
8-hexyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82098568
8-nonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82098593
N,N-diethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide
CID 78996102
7-(2-cyclopentylacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996213
7-[3-(2,2,2-trifluoroethoxy)propanoyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78995893
7-[2-(2-methylphenyl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78995917
7-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996483
N-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 55023657

Frequently Asked Questions

What is the IUPAC name of 7-octanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-octanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 78995995) is 7-octanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-octanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-octanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione is CCCCCCCC(=O)N1CCC2(C1)NC(=O)NC2=O.
What is the InChIKey of 7-octanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is BEOQJHLFQCXWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-2-3-4-5-6-7-11(18)17-9-8-14(10-17)12(19)15-13(20)16-14/h2-10H2,1H3,(H2,15,16,19,20).
What are the key properties of 7-octanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-octanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 281.36 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-octanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 78995995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).