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

C12H21N3O2 — CID 171565175

IUPACethane;1-[(E)-1-(ethenylamino)but-1-en-2-yl]-1,3-diazinane-2,4-dione
SMILESC=CN/C=C(\CC)N1CCC(=O)NC1=O.CC
InChIInChI=1S/C10H15N3O2.C2H6/c1-3-8(7-11-4-2)13-6-5-9(14)12-10(13)15;1-2/h4,7,11H,2-3,5-6H2,1H3,(H,12,14,15);1-2H3/b8-7+;
InChIKeyALZVTWMEUNGJMR-USRGLUTNSA-N
MW239.32 g/mol
LogP1.94
Rot. Bonds4

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

ethane;1-[(E)-1-(ethenylamino)but-1-en-2-yl]-1,3-diazinane-2,4-dione (PubChem CID 171565175) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is ethane;1-[(E)-1-(ethenylamino)but-1-en-2-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Nameethane;1-[(E)-1-(ethenylamino)but-1-en-2-yl]-1,3-diazinane-2,4-dione
PubChem CID171565175
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Nameethane;1-[(E)-1-(ethenylamino)but-1-en-2-yl]-1,3-diazinane-2,4-dione
SMILESC=CN/C=C(\CC)N1CCC(=O)NC1=O.CC
InChIInChI=1S/C10H15N3O2.C2H6/c1-3-8(7-11-4-2)13-6-5-9(14)12-10(13)15;1-2/h4,7,11H,2-3,5-6H2,1H3,(H,12,14,15);1-2H3/b8-7+;
InChIKeyALZVTWMEUNGJMR-USRGLUTNSA-N
XLogP1.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(Dimethylamino)methylene] amino-1,3-dimethyl uracil
CID 129732221
(6Z)-1-ethyl-6-(ethylaminomethylidene)-1,3-diazinan-2-one
CID 142817934
1-Methyl-6-methylidene-1,3-diazinane-2,4-dione
CID 143328426
1-Methyl-6-methylidene-1,3-diazinan-4-one
CID 143917902
1,3-Dimethyl-6-methylidene-1,3-diazinane-2,4-dione;ethane
CID 145139200
1-[(E)-but-2-en-2-yl]-1,3-diazinane-2,4-dione
CID 156707021
(Z)-4-amino-3-[[carbamoyl(methyl)carbamoyl]amino]but-3-enamide
CID 164055200
1-(1-propan-2-yl-3,4-dihydro-2H-pyridin-5-yl)-1,3-diazinane-2,4-dione
CID 166113119
1-[(2E)-penta-2,4-dien-2-yl]-1,3-diazinane-2,4-dione
CID 167250267
1-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)-1,3-diazinane-2,4-dione
CID 169823265
1-(1-Ethyl-1-methylpyrrol-1-ium-2-yl)-1,3-diazinane-2,4-dione
CID 170703555
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione
CID 171565222

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(E)-1-(ethenylamino)but-1-en-2-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of ethane;1-[(E)-1-(ethenylamino)but-1-en-2-yl]-1,3-diazinane-2,4-dione (CID 171565175) is ethane;1-[(E)-1-(ethenylamino)but-1-en-2-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for ethane;1-[(E)-1-(ethenylamino)but-1-en-2-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for ethane;1-[(E)-1-(ethenylamino)but-1-en-2-yl]-1,3-diazinane-2,4-dione is C=CN/C=C(\CC)N1CCC(=O)NC1=O.CC.
What is the InChIKey of ethane;1-[(E)-1-(ethenylamino)but-1-en-2-yl]-1,3-diazinane-2,4-dione?
The InChIKey is ALZVTWMEUNGJMR-USRGLUTNSA-N. The full InChI is InChI=1S/C10H15N3O2.C2H6/c1-3-8(7-11-4-2)13-6-5-9(14)12-10(13)15;1-2/h4,7,11H,2-3,5-6H2,1H3,(H,12,14,15);1-2H3/b8-7+;.
What are the key properties of ethane;1-[(E)-1-(ethenylamino)but-1-en-2-yl]-1,3-diazinane-2,4-dione?
ethane;1-[(E)-1-(ethenylamino)but-1-en-2-yl]-1,3-diazinane-2,4-dione has a molecular weight of 239.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(E)-1-(ethenylamino)but-1-en-2-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171565175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).