5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C11H15N3O3 — CID 7461837

IUPAC5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESC/C(=N\C1CC1)C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C11H15N3O3/c1-6(12-7-4-5-7)8-9(15)13(2)11(17)14(3)10(8)16/h7-8H,4-5H2,1-3H3/b12-6+
InChIKeyNPCPUCKYKJHQOL-WUXMJOGZSA-N
MW237.26 g/mol
LogP0.28
Rot. Bonds2

About 5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 7461837) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID7461837
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESC/C(=N\C1CC1)C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C11H15N3O3/c1-6(12-7-4-5-7)8-9(15)13(2)11(17)14(3)10(8)16/h7-8H,4-5H2,1-3H3/b12-6+
InChIKeyNPCPUCKYKJHQOL-WUXMJOGZSA-N
XLogP0.28
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 7461837) is 5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is C/C(=N\C1CC1)C1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is NPCPUCKYKJHQOL-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-6(12-7-4-5-7)8-9(15)13(2)11(17)14(3)10(8)16/h7-8H,4-5H2,1-3H3/b12-6+.
What are the key properties of 5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 237.26 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7461837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).