5-[methyl(prop-1-en-2-yl)amino]-1,3-diazinane-2,4,6-trione

C8H11N3O3 — CID 163664662

IUPAC5-[methyl(prop-1-en-2-yl)amino]-1,3-diazinane-2,4,6-trione
SMILESC=C(C)N(C)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C8H11N3O3/c1-4(2)11(3)5-6(12)9-8(14)10-7(5)13/h5H,1H2,2-3H3,(H2,9,10,12,13,14)
InChIKeyIXJBIOZPQSRAJX-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.81
Rot. Bonds2

About 5-[methyl(prop-1-en-2-yl)amino]-1,3-diazinane-2,4,6-trione

5-[methyl(prop-1-en-2-yl)amino]-1,3-diazinane-2,4,6-trione (PubChem CID 163664662) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 5-[methyl(prop-1-en-2-yl)amino]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[methyl(prop-1-en-2-yl)amino]-1,3-diazinane-2,4,6-trione
PubChem CID163664662
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name5-[methyl(prop-1-en-2-yl)amino]-1,3-diazinane-2,4,6-trione
SMILESC=C(C)N(C)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C8H11N3O3/c1-4(2)11(3)5-6(12)9-8(14)10-7(5)13/h5H,1H2,2-3H3,(H2,9,10,12,13,14)
InChIKeyIXJBIOZPQSRAJX-UHFFFAOYSA-N
XLogP-0.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(Dimethylamino)-1,3-diazinane-2,4,6-trione
CID 129939661
1-[(E)-but-2-en-2-yl]-1,3-diazinane-2,4-dione
CID 156707021
5-[Ethyl(methyl)amino]-1-methyl-1,3-diazinane-2,4-dione
CID 163824061
N,N-dimethyl-2-(2,4,6-trioxo-1,3-diazinan-1-yl)propanamide
CID 112597940
6-Methylidene-1-propan-2-yl-1,3-diazinane-2,4-dione
CID 161088870
1-Prop-1-en-2-yl-1,3-diazinane-2,4-dione
CID 166168601

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(prop-1-en-2-yl)amino]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[methyl(prop-1-en-2-yl)amino]-1,3-diazinane-2,4,6-trione (CID 163664662) is 5-[methyl(prop-1-en-2-yl)amino]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[methyl(prop-1-en-2-yl)amino]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[methyl(prop-1-en-2-yl)amino]-1,3-diazinane-2,4,6-trione is C=C(C)N(C)C1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-[methyl(prop-1-en-2-yl)amino]-1,3-diazinane-2,4,6-trione?
The InChIKey is IXJBIOZPQSRAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-4(2)11(3)5-6(12)9-8(14)10-7(5)13/h5H,1H2,2-3H3,(H2,9,10,12,13,14).
What are the key properties of 5-[methyl(prop-1-en-2-yl)amino]-1,3-diazinane-2,4,6-trione?
5-[methyl(prop-1-en-2-yl)amino]-1,3-diazinane-2,4,6-trione has a molecular weight of 197.19 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(prop-1-en-2-yl)amino]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 163664662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).