5-(2-bromoprop-2-enyl)-1-methyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione

C11H15BrN2O3 — CID 18735

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IUPAC5-(2-bromoprop-2-enyl)-1-methyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESC=C(Br)CC1(C(C)C)C(=O)NC(=O)N(C)C1=O
InChIInChI=1S/C11H15BrN2O3/c1-6(2)11(5-7(3)12)8(15)13-10(17)14(4)9(11)16/h6H,3,5H2,1-2,4H3,(H,13,15,17)
InChIKeyWGMASVSHOSNKMF-UHFFFAOYSA-N
MW303.16 g/mol
LogP1.64
Rot. Bonds3

About 5-(2-bromoprop-2-enyl)-1-methyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione

5-(2-bromoprop-2-enyl)-1-methyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione (PubChem CID 18735) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is 5-(2-bromoprop-2-enyl)-1-methyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(2-bromoprop-2-enyl)-1-methyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
PubChem CID18735
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC Name5-(2-bromoprop-2-enyl)-1-methyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESC=C(Br)CC1(C(C)C)C(=O)NC(=O)N(C)C1=O
InChIInChI=1S/C11H15BrN2O3/c1-6(2)11(5-7(3)12)8(15)13-10(17)14(4)9(11)16/h6H,3,5H2,1-2,4H3,(H,13,15,17)
InChIKeyWGMASVSHOSNKMF-UHFFFAOYSA-N
XLogP1.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2-bromoprop-2-enyl)-1-methyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione with MolForge

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Related Compounds

Methohexital
CID 9034
Propallylonal
CID 11020
5-(2-Bromo-2-propen-1-yl)-5-(1-methylpropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 14362
Brallobarbital
CID 68416
5-Allyl-5-isopropyl-1-methylbarbituric acid
CID 95636
Barbituric acid, 5-ethyl-5-isopropenyl-1-methyl-
CID 48772
Barbituric acid, 5-(2-bromoallyl)-5-propyl-
CID 56167
1-Methyl-5,5-di-2-propen-1-yl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 13074
Barbituric acid, 5-allyl-5-sec-butyl-1-methyl-
CID 48520
5-(2-Bromo-2-propen-1-yl)-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 14630
Barbituric acid, 5-allyl-5-(2-bromopropyl)-1-methyl-
CID 31196
Barbituric acid, 5-(2-bromoallyl)-5-(2-cyclopentenyl)-1-methyl-
CID 48594

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoprop-2-enyl)-1-methyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(2-bromoprop-2-enyl)-1-methyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione (CID 18735) is 5-(2-bromoprop-2-enyl)-1-methyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(2-bromoprop-2-enyl)-1-methyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(2-bromoprop-2-enyl)-1-methyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione is C=C(Br)CC1(C(C)C)C(=O)NC(=O)N(C)C1=O.
What is the InChIKey of 5-(2-bromoprop-2-enyl)-1-methyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The InChIKey is WGMASVSHOSNKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-6(2)11(5-7(3)12)8(15)13-10(17)14(4)9(11)16/h6H,3,5H2,1-2,4H3,(H,13,15,17).
What are the key properties of 5-(2-bromoprop-2-enyl)-1-methyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
5-(2-bromoprop-2-enyl)-1-methyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione has a molecular weight of 303.16 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoprop-2-enyl)-1-methyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 18735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).