3-but-3-enyl-6-methylidene-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione

C14H19N3O2 — CID 143077874

IUPAC3-but-3-enyl-6-methylidene-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione
SMILESC=CCCN1C(=O)N(CC=C)C(=C)N(CC=C)C1=O
InChIInChI=1S/C14H19N3O2/c1-5-8-11-17-13(18)15(9-6-2)12(4)16(10-7-3)14(17)19/h5-7H,1-4,8-11H2
InChIKeyNRTYLWBAEHAUHR-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.57
Rot. Bonds7

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

3-but-3-enyl-6-methylidene-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione (PubChem CID 143077874) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-but-3-enyl-6-methylidene-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name3-but-3-enyl-6-methylidene-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione
PubChem CID143077874
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-but-3-enyl-6-methylidene-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione
SMILESC=CCCN1C(=O)N(CC=C)C(=C)N(CC=C)C1=O
InChIInChI=1S/C14H19N3O2/c1-5-8-11-17-13(18)15(9-6-2)12(4)16(10-7-3)14(17)19/h5-7H,1-4,8-11H2
InChIKeyNRTYLWBAEHAUHR-UHFFFAOYSA-N
XLogP2.57
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-but-3-enyl-6-methylidene-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione with MolForge

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Related Compounds

1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione
CID 15620660
1,1,3,5-tetrakis(prop-2-enyl)-1,3,5-triazinan-1-ium-2,4,6-trione
CID 90198430
3a,6a-dimethyl-2-methylidene-1,3,4,6-tetrakis(prop-2-enyl)imidazo[4,5-d]imidazol-5-one
CID 135126719
1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4-dione
CID 15051391
1-butyl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 89280580
1-(methylamino)-6-methylidene-3-[(2-propan-2-ylphenyl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4-dione
CID 137482006
2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 123730959
6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 174226732
2,5-dimethylidene-1-prop-2-enylpyrrolidine
CID 144985086
2-but-3-enyl-4H-isoquinoline-1,3-dione
CID 58158002
1,3-dimethyl-5-prop-2-enyl-1,3,5-triazinan-2-one
CID 101375506
1-pent-4-enylpyrrole-2,5-dione
CID 15519463

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enyl-6-methylidene-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione?
The IUPAC name of 3-but-3-enyl-6-methylidene-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione (CID 143077874) is 3-but-3-enyl-6-methylidene-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 3-but-3-enyl-6-methylidene-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 3-but-3-enyl-6-methylidene-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione is C=CCCN1C(=O)N(CC=C)C(=C)N(CC=C)C1=O.
What is the InChIKey of 3-but-3-enyl-6-methylidene-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione?
The InChIKey is NRTYLWBAEHAUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-5-8-11-17-13(18)15(9-6-2)12(4)16(10-7-3)14(17)19/h5-7H,1-4,8-11H2.
What are the key properties of 3-but-3-enyl-6-methylidene-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione?
3-but-3-enyl-6-methylidene-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione has a molecular weight of 261.32 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-6-methylidene-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 143077874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).