1-cyclopentyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione

C15H20N2O3 — CID 141165816

IUPAC1-cyclopentyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(CC=C)C(=O)NC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C15H20N2O3/c1-3-9-15(10-4-2)12(18)16-14(20)17(13(15)19)11-7-5-6-8-11/h3-4,11H,1-2,5-10H2,(H,16,18,20)
InChIKeyXICAKMHLUSOZFM-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.15
Rot. Bonds5

About 1-cyclopentyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione

1-cyclopentyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione (PubChem CID 141165816) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-cyclopentyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclopentyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
PubChem CID141165816
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-cyclopentyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(CC=C)C(=O)NC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C15H20N2O3/c1-3-9-15(10-4-2)12(18)16-14(20)17(13(15)19)11-7-5-6-8-11/h3-4,11H,1-2,5-10H2,(H,16,18,20)
InChIKeyXICAKMHLUSOZFM-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclopentyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione (CID 141165816) is 1-cyclopentyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclopentyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclopentyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione is C=CCC1(CC=C)C(=O)NC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of 1-cyclopentyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is XICAKMHLUSOZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-9-15(10-4-2)12(18)16-14(20)17(13(15)19)11-7-5-6-8-11/h3-4,11H,1-2,5-10H2,(H,16,18,20).
What are the key properties of 1-cyclopentyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
1-cyclopentyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 276.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 141165816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).