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

C12H16N2O2 — CID 177039207

IUPAC1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione
SMILESC=C/C=C(\C=C/CC)N1CCC(=O)NC1=O
InChIInChI=1S/C12H16N2O2/c1-3-5-7-10(6-4-2)14-9-8-11(15)13-12(14)16/h4-7H,2-3,8-9H2,1H3,(H,13,15,16)/b7-5-,10-6+
InChIKeyYSVUBSSWBAWWHI-ZPRNNRRZSA-N
MW220.27 g/mol
LogP1.96
Rot. Bonds4

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

1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione (PubChem CID 177039207) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione
PubChem CID177039207
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione
SMILESC=C/C=C(\C=C/CC)N1CCC(=O)NC1=O
InChIInChI=1S/C12H16N2O2/c1-3-5-7-10(6-4-2)14-9-8-11(15)13-12(14)16/h4-7H,2-3,8-9H2,1H3,(H,13,15,16)/b7-5-,10-6+
InChIKeyYSVUBSSWBAWWHI-ZPRNNRRZSA-N
XLogP1.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.96
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)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione (CID 177039207) is 1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione is C=C/C=C(\C=C/CC)N1CCC(=O)NC1=O.
What is the InChIKey of 1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione?
The InChIKey is YSVUBSSWBAWWHI-ZPRNNRRZSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-5-7-10(6-4-2)14-9-8-11(15)13-12(14)16/h4-7H,2-3,8-9H2,1H3,(H,13,15,16)/b7-5-,10-6+.
What are the key properties of 1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione?
1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione has a molecular weight of 220.27 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 177039207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).