6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyrimidine-2,4-dione

C18H24N4O4 — CID 72855625

IUPAC6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCC(C)=CCN1CC2(CCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)CC2)CC1=O
InChIInChI=1S/C18H24N4O4/c1-12(2)3-6-22-11-18(10-15(22)24)4-7-21(8-5-18)16(25)13-9-14(23)20-17(26)19-13/h3,9H,4-8,10-11H2,1-2H3,(H2,19,20,23,26)
InChIKeyWWVAPPUQDWFOLU-UHFFFAOYSA-N
MW360.41 g/mol
LogP0.48
Rot. Bonds3

About 6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyrimidine-2,4-dione

6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 72855625) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID72855625
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCC(C)=CCN1CC2(CCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)CC2)CC1=O
InChIInChI=1S/C18H24N4O4/c1-12(2)3-6-22-11-18(10-15(22)24)4-7-21(8-5-18)16(25)13-9-14(23)20-17(26)19-13/h3,9H,4-8,10-11H2,1-2H3,(H2,19,20,23,26)
InChIKeyWWVAPPUQDWFOLU-UHFFFAOYSA-N
XLogP0.48
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyrimidine-2,4-dione (CID 72855625) is 6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyrimidine-2,4-dione is CC(C)=CCN1CC2(CCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)CC2)CC1=O.
What is the InChIKey of 6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is WWVAPPUQDWFOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-12(2)3-6-22-11-18(10-15(22)24)4-7-21(8-5-18)16(25)13-9-14(23)20-17(26)19-13/h3,9H,4-8,10-11H2,1-2H3,(H2,19,20,23,26).
What are the key properties of 6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyrimidine-2,4-dione?
6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 360.41 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 72855625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).