5-(3-bicyclo[3.2.1]oct-2-enyl)-5-ethyl-1,3-diazinane-2,4,6-trione

C14H18N2O3 — CID 19254

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IUPAC5-(3-bicyclo[3.2.1]oct-2-enyl)-5-ethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(C2=CC3CCC(C2)C3)C(=O)NC(=O)NC1=O
InChIInChI=1S/C14H18N2O3/c1-2-14(11(17)15-13(19)16-12(14)18)10-6-8-3-4-9(5-8)7-10/h6,8-9H,2-5,7H2,1H3,(H2,15,16,17,18,19)
InChIKeyMKELYWOVSPVORM-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.50
Rot. Bonds2

About 5-(3-bicyclo[3.2.1]oct-2-enyl)-5-ethyl-1,3-diazinane-2,4,6-trione

5-(3-bicyclo[3.2.1]oct-2-enyl)-5-ethyl-1,3-diazinane-2,4,6-trione (PubChem CID 19254) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-(3-bicyclo[3.2.1]oct-2-enyl)-5-ethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(3-bicyclo[3.2.1]oct-2-enyl)-5-ethyl-1,3-diazinane-2,4,6-trione
PubChem CID19254
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name5-(3-bicyclo[3.2.1]oct-2-enyl)-5-ethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(C2=CC3CCC(C2)C3)C(=O)NC(=O)NC1=O
InChIInChI=1S/C14H18N2O3/c1-2-14(11(17)15-13(19)16-12(14)18)10-6-8-3-4-9(5-8)7-10/h6,8-9H,2-5,7H2,1H3,(H2,15,16,17,18,19)
InChIKeyMKELYWOVSPVORM-UHFFFAOYSA-N
XLogP1.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3-bicyclo[3.2.1]oct-2-enyl)-5-ethyl-1,3-diazinane-2,4,6-trione with MolForge

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Related Compounds

Hexobarbital
CID 3608
Cyclobarbital
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(S)-Hexobarbital
CID 7036944
5-(Cyclohex-1-en-1-yl)-5-ethyl-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione
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Barbituric acid, 5-butyl-5-(3-methyl-2-butenyl)-
CID 49202
Barbituric acid, 5-isopentyl-5-isopropenyl-
CID 49299
2,4-Diazaspiro(5.5)undec-8-ene-1,3,5-trione, 11-propyl-
CID 98384
2,4-Diazaspiro(5.5)undec-8-ene-1,3,5-trione, 8,9,11-trimethyl-
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Barbituric acid, 5-ethyl-5-(1-ethylpropenyl)-
CID 5381859

Frequently Asked Questions

What is the IUPAC name of 5-(3-bicyclo[3.2.1]oct-2-enyl)-5-ethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(3-bicyclo[3.2.1]oct-2-enyl)-5-ethyl-1,3-diazinane-2,4,6-trione (CID 19254) is 5-(3-bicyclo[3.2.1]oct-2-enyl)-5-ethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(3-bicyclo[3.2.1]oct-2-enyl)-5-ethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(3-bicyclo[3.2.1]oct-2-enyl)-5-ethyl-1,3-diazinane-2,4,6-trione is CCC1(C2=CC3CCC(C2)C3)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-(3-bicyclo[3.2.1]oct-2-enyl)-5-ethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is MKELYWOVSPVORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-14(11(17)15-13(19)16-12(14)18)10-6-8-3-4-9(5-8)7-10/h6,8-9H,2-5,7H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 5-(3-bicyclo[3.2.1]oct-2-enyl)-5-ethyl-1,3-diazinane-2,4,6-trione?
5-(3-bicyclo[3.2.1]oct-2-enyl)-5-ethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 262.31 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bicyclo[3.2.1]oct-2-enyl)-5-ethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 19254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).