1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione

C10H16N2O2 — CID 134553753

IUPAC1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione
SMILESCCC/C=C/CN1CCC(=O)NC1=O
InChIInChI=1S/C10H16N2O2/c1-2-3-4-5-7-12-8-6-9(13)11-10(12)14/h4-5H,2-3,6-8H2,1H3,(H,11,13,14)/b5-4+
InChIKeyDFACINZIAUQWLR-SNAWJCMRSA-N
MW196.25 g/mol
LogP1.28
Rot. Bonds4

About 1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione

1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione (PubChem CID 134553753) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione
PubChem CID134553753
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione
SMILESCCC/C=C/CN1CCC(=O)NC1=O
InChIInChI=1S/C10H16N2O2/c1-2-3-4-5-7-12-8-6-9(13)11-10(12)14/h4-5H,2-3,6-8H2,1H3,(H,11,13,14)/b5-4+
InChIKeyDFACINZIAUQWLR-SNAWJCMRSA-N
XLogP1.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione (CID 134553753) is 1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione is CCC/C=C/CN1CCC(=O)NC1=O.
What is the InChIKey of 1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione?
The InChIKey is DFACINZIAUQWLR-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-3-4-5-7-12-8-6-9(13)11-10(12)14/h4-5H,2-3,6-8H2,1H3,(H,11,13,14)/b5-4+.
What are the key properties of 1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione?
1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione has a molecular weight of 196.25 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 134553753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).