1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione

C11H14N2O2 — CID 167250435

IUPAC1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione
SMILESC=C/C=C(\C=C/C)N1CCC(=O)NC1=O
InChIInChI=1S/C11H14N2O2/c1-3-5-9(6-4-2)13-8-7-10(14)12-11(13)15/h3-6H,1,7-8H2,2H3,(H,12,14,15)/b6-4-,9-5+
InChIKeyWDNZBUIZWVJDGD-QUNSIMLLSA-N
MW206.25 g/mol
LogP1.57
Rot. Bonds3

About 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione

1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione (PubChem CID 167250435) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione
PubChem CID167250435
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione
SMILESC=C/C=C(\C=C/C)N1CCC(=O)NC1=O
InChIInChI=1S/C11H14N2O2/c1-3-5-9(6-4-2)13-8-7-10(14)12-11(13)15/h3-6H,1,7-8H2,2H3,(H,12,14,15)/b6-4-,9-5+
InChIKeyWDNZBUIZWVJDGD-QUNSIMLLSA-N
XLogP1.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione (CID 167250435) is 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione is C=C/C=C(\C=C/C)N1CCC(=O)NC1=O.
What is the InChIKey of 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione?
The InChIKey is WDNZBUIZWVJDGD-QUNSIMLLSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-5-9(6-4-2)13-8-7-10(14)12-11(13)15/h3-6H,1,7-8H2,2H3,(H,12,14,15)/b6-4-,9-5+.
What are the key properties of 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione?
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione has a molecular weight of 206.25 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 167250435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).