5-cyclopentyl-1-hex-5-ynyl-1,3-diazinane-2,4,6-trione

C15H20N2O3 — CID 106211126

IUPAC5-cyclopentyl-1-hex-5-ynyl-1,3-diazinane-2,4,6-trione
SMILESC#CCCCCN1C(=O)NC(=O)C(C2CCCC2)C1=O
InChIInChI=1S/C15H20N2O3/c1-2-3-4-7-10-17-14(19)12(11-8-5-6-9-11)13(18)16-15(17)20/h1,11-12H,3-10H2,(H,16,18,20)
InChIKeyXPGFGRXJCZVKAK-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.67
Rot. Bonds5

About 5-cyclopentyl-1-hex-5-ynyl-1,3-diazinane-2,4,6-trione

5-cyclopentyl-1-hex-5-ynyl-1,3-diazinane-2,4,6-trione (PubChem CID 106211126) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-cyclopentyl-1-hex-5-ynyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-cyclopentyl-1-hex-5-ynyl-1,3-diazinane-2,4,6-trione
PubChem CID106211126
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name5-cyclopentyl-1-hex-5-ynyl-1,3-diazinane-2,4,6-trione
SMILESC#CCCCCN1C(=O)NC(=O)C(C2CCCC2)C1=O
InChIInChI=1S/C15H20N2O3/c1-2-3-4-7-10-17-14(19)12(11-8-5-6-9-11)13(18)16-15(17)20/h1,11-12H,3-10H2,(H,16,18,20)
InChIKeyXPGFGRXJCZVKAK-UHFFFAOYSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)butanamide
CID 115946962
5-cyclopentyl-1-[2-(2-methoxyethoxy)ethyl]-1,3-diazinane-2,4,6-trione
CID 115947273
5-cyclopentyl-1-(2,2-difluoroethyl)-1,3-diazinane-2,4,6-trione
CID 112601416
5-cyclopentyl-1-(oxolan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 115945681
3-hex-5-ynyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 106209099
3-bromo-1-hex-5-ynylpiperidin-2-one
CID 106211576
5-cyclopentyl-1-(oxolan-3-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 115947978
5-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)-1,3-diazinane-2,4,6-trione
CID 115948242
1,5-dicyclopentyl-1,3-diazinane-2,4,6-trione
CID 112598446
5-(4-chlorophenyl)-1-pent-4-ynyl-1,3-diazinane-2,4,6-trione
CID 106222259
5-cyclopentyl-1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 115948899
1-hex-5-ynyl-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 106211117

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1-hex-5-ynyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-cyclopentyl-1-hex-5-ynyl-1,3-diazinane-2,4,6-trione (CID 106211126) is 5-cyclopentyl-1-hex-5-ynyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-cyclopentyl-1-hex-5-ynyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-cyclopentyl-1-hex-5-ynyl-1,3-diazinane-2,4,6-trione is C#CCCCCN1C(=O)NC(=O)C(C2CCCC2)C1=O.
What is the InChIKey of 5-cyclopentyl-1-hex-5-ynyl-1,3-diazinane-2,4,6-trione?
The InChIKey is XPGFGRXJCZVKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-3-4-7-10-17-14(19)12(11-8-5-6-9-11)13(18)16-15(17)20/h1,11-12H,3-10H2,(H,16,18,20).
What are the key properties of 5-cyclopentyl-1-hex-5-ynyl-1,3-diazinane-2,4,6-trione?
5-cyclopentyl-1-hex-5-ynyl-1,3-diazinane-2,4,6-trione has a molecular weight of 276.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1-hex-5-ynyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 106211126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).