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

C14H28N2O2 — CID 142360228

IUPACethane;1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione
SMILESCC.CC.CCC/C=C/CN1CCC(=O)NC1=O
InChIInChI=1S/C10H16N2O2.2C2H6/c1-2-3-4-5-7-12-8-6-9(13)11-10(12)14;2*1-2/h4-5H,2-3,6-8H2,1H3,(H,11,13,14);2*1-2H3/b5-4+;;
InChIKeyZANYMSDQURBJRZ-SFKRKKMESA-N
MW256.39 g/mol
LogP3.34
Rot. Bonds4

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

ethane;1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione (PubChem CID 142360228) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethane;1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Nameethane;1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione
PubChem CID142360228
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nameethane;1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione
SMILESCC.CC.CCC/C=C/CN1CCC(=O)NC1=O
InChIInChI=1S/C10H16N2O2.2C2H6/c1-2-3-4-5-7-12-8-6-9(13)11-10(12)14;2*1-2/h4-5H,2-3,6-8H2,1H3,(H,11,13,14);2*1-2H3/b5-4+;;
InChIKeyZANYMSDQURBJRZ-SFKRKKMESA-N
XLogP3.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.34
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 ethane;1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione?
The IUPAC name of ethane;1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione (CID 142360228) is ethane;1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for ethane;1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for ethane;1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione is CC.CC.CCC/C=C/CN1CCC(=O)NC1=O.
What is the InChIKey of ethane;1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione?
The InChIKey is ZANYMSDQURBJRZ-SFKRKKMESA-N. The full InChI is InChI=1S/C10H16N2O2.2C2H6/c1-2-3-4-5-7-12-8-6-9(13)11-10(12)14;2*1-2/h4-5H,2-3,6-8H2,1H3,(H,11,13,14);2*1-2H3/b5-4+;;.
What are the key properties of ethane;1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione?
ethane;1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione has a molecular weight of 256.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(E)-hex-2-enyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 142360228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).