1-[(E)-but-2-en-2-yl]-1,3-diazinane-2,4-dione

C8H12N2O2 — CID 156707021

IUPAC1-[(E)-but-2-en-2-yl]-1,3-diazinane-2,4-dione
SMILESC/C=C(\C)N1CCC(=O)NC1=O
InChIInChI=1S/C8H12N2O2/c1-3-6(2)10-5-4-7(11)9-8(10)12/h3H,4-5H2,1-2H3,(H,9,11,12)/b6-3+
InChIKeyGIRGQLQVFKCXPD-ZZXKWVIFSA-N
MW168.20 g/mol
LogP0.85
Rot. Bonds1

About 1-[(E)-but-2-en-2-yl]-1,3-diazinane-2,4-dione

1-[(E)-but-2-en-2-yl]-1,3-diazinane-2,4-dione (PubChem CID 156707021) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]-1,3-diazinane-2,4-dione
PubChem CID156707021
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-[(E)-but-2-en-2-yl]-1,3-diazinane-2,4-dione
SMILESC/C=C(\C)N1CCC(=O)NC1=O
InChIInChI=1S/C8H12N2O2/c1-3-6(2)10-5-4-7(11)9-8(10)12/h3H,4-5H2,1-2H3,(H,9,11,12)/b6-3+
InChIKeyGIRGQLQVFKCXPD-ZZXKWVIFSA-N
XLogP0.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Uracil, 6-methyl-4-propyl-
CID 165610
1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-1,3-diazinane-2,4-dione
CID 144982590
6-methyl-1-propyl-2,4(1H,3H)-pyrimidinedione
CID 1548093
1-[(E)-but-2-enyl]-5-fluoro-1,3-diazinane-2,4,6-trione
CID 133671914
1-(3-Methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
CID 19904711
1-Methyl-6-methylidene-1,3-diazinane-2,4-dione
CID 143328426
1-[(Z)-1-phosphanylprop-1-enyl]-1,3-diazinane-2,4-dione
CID 156187154
5-[Methyl(prop-1-en-2-yl)amino]-1,3-diazinane-2,4,6-trione
CID 163664662
1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)-1,3-diazinane-2,4-dione
CID 166112948
1-[(2E)-penta-2,4-dien-2-yl]-1,3-diazinane-2,4-dione
CID 167250267
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione
CID 167250435
1-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)-1,3-diazinane-2,4-dione
CID 169823265

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(E)-but-2-en-2-yl]-1,3-diazinane-2,4-dione (CID 156707021) is 1-[(E)-but-2-en-2-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]-1,3-diazinane-2,4-dione is C/C=C(\C)N1CCC(=O)NC1=O.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]-1,3-diazinane-2,4-dione?
The InChIKey is GIRGQLQVFKCXPD-ZZXKWVIFSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-6(2)10-5-4-7(11)9-8(10)12/h3H,4-5H2,1-2H3,(H,9,11,12)/b6-3+.
What are the key properties of 1-[(E)-but-2-en-2-yl]-1,3-diazinane-2,4-dione?
1-[(E)-but-2-en-2-yl]-1,3-diazinane-2,4-dione has a molecular weight of 168.20 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 156707021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).