1-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]-1,3-diazinane-2,4-dione

C14H20N2O2 — CID 130441723

IUPAC1-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]-1,3-diazinane-2,4-dione
SMILESC=C/C=C\C(=C/C)CCCN1CCC(=O)NC1=O
InChIInChI=1S/C14H20N2O2/c1-3-5-7-12(4-2)8-6-10-16-11-9-13(17)15-14(16)18/h3-5,7H,1,6,8-11H2,2H3,(H,15,17,18)/b7-5-,12-4+
InChIKeyGAJLQBBOXDZGRC-NIZDWENVSA-N
MW248.33 g/mol
LogP2.40
Rot. Bonds6

About 1-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]-1,3-diazinane-2,4-dione

1-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]-1,3-diazinane-2,4-dione (PubChem CID 130441723) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]-1,3-diazinane-2,4-dione
PubChem CID130441723
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]-1,3-diazinane-2,4-dione
SMILESC=C/C=C\C(=C/C)CCCN1CCC(=O)NC1=O
InChIInChI=1S/C14H20N2O2/c1-3-5-7-12(4-2)8-6-10-16-11-9-13(17)15-14(16)18/h3-5,7H,1,6,8-11H2,2H3,(H,15,17,18)/b7-5-,12-4+
InChIKeyGAJLQBBOXDZGRC-NIZDWENVSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.40
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-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]-1,3-diazinane-2,4-dione (CID 130441723) is 1-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]-1,3-diazinane-2,4-dione is C=C/C=C\C(=C/C)CCCN1CCC(=O)NC1=O.
What is the InChIKey of 1-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]-1,3-diazinane-2,4-dione?
The InChIKey is GAJLQBBOXDZGRC-NIZDWENVSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-5-7-12(4-2)8-6-10-16-11-9-13(17)15-14(16)18/h3-5,7H,1,6,8-11H2,2H3,(H,15,17,18)/b7-5-,12-4+.
What are the key properties of 1-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]-1,3-diazinane-2,4-dione?
1-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]-1,3-diazinane-2,4-dione has a molecular weight of 248.33 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 130441723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).