6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione

C15H21N3O3 — CID 134249360

IUPAC6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione
SMILESC=C(C)CN1C(=C)N(CC(C)=O)C(=O)N(CC(=C)C)C1=O
InChIInChI=1S/C15H21N3O3/c1-10(2)7-16-13(6)17(9-12(5)19)15(21)18(14(16)20)8-11(3)4/h1,3,6-9H2,2,4-5H3
InChIKeyNSNMJTDGOHYEDH-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.36
Rot. Bonds6

About 6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione

6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione (PubChem CID 134249360) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione
PubChem CID134249360
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione
SMILESC=C(C)CN1C(=C)N(CC(C)=O)C(=O)N(CC(=C)C)C1=O
InChIInChI=1S/C15H21N3O3/c1-10(2)7-16-13(6)17(9-12(5)19)15(21)18(14(16)20)8-11(3)4/h1,3,6-9H2,2,4-5H3
InChIKeyNSNMJTDGOHYEDH-UHFFFAOYSA-N
XLogP2.36
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione?
The IUPAC name of 6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione (CID 134249360) is 6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione is C=C(C)CN1C(=C)N(CC(C)=O)C(=O)N(CC(=C)C)C1=O.
What is the InChIKey of 6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione?
The InChIKey is NSNMJTDGOHYEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(2)7-16-13(6)17(9-12(5)19)15(21)18(14(16)20)8-11(3)4/h1,3,6-9H2,2,4-5H3.
What are the key properties of 6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione?
6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione has a molecular weight of 291.35 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 134249360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).