1,6-bis(ethenyl)-1,3-diazinan-2-one

C8H12N2O — CID 54375708

IUPAC1,6-bis(ethenyl)-1,3-diazinan-2-one
SMILESC=CC1CCNC(=O)N1C=C
InChIInChI=1S/C8H12N2O/c1-3-7-5-6-9-8(11)10(7)4-2/h3-4,7H,1-2,5-6H2,(H,9,11)
InChIKeyUWIUCSWMHYVTGQ-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.10
Rot. Bonds2

About 1,6-bis(ethenyl)-1,3-diazinan-2-one

1,6-bis(ethenyl)-1,3-diazinan-2-one (PubChem CID 54375708) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1,6-bis(ethenyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1,6-bis(ethenyl)-1,3-diazinan-2-one
PubChem CID54375708
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1,6-bis(ethenyl)-1,3-diazinan-2-one
SMILESC=CC1CCNC(=O)N1C=C
InChIInChI=1S/C8H12N2O/c1-3-7-5-6-9-8(11)10(7)4-2/h3-4,7H,1-2,5-6H2,(H,9,11)
InChIKeyUWIUCSWMHYVTGQ-UHFFFAOYSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1,6-bis(ethenyl)-1,3-diazinan-2-one?
The IUPAC name of 1,6-bis(ethenyl)-1,3-diazinan-2-one (CID 54375708) is 1,6-bis(ethenyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1,6-bis(ethenyl)-1,3-diazinan-2-one?
The canonical SMILES for 1,6-bis(ethenyl)-1,3-diazinan-2-one is C=CC1CCNC(=O)N1C=C.
What is the InChIKey of 1,6-bis(ethenyl)-1,3-diazinan-2-one?
The InChIKey is UWIUCSWMHYVTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-7-5-6-9-8(11)10(7)4-2/h3-4,7H,1-2,5-6H2,(H,9,11).
What are the key properties of 1,6-bis(ethenyl)-1,3-diazinan-2-one?
1,6-bis(ethenyl)-1,3-diazinan-2-one has a molecular weight of 152.20 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(ethenyl)-1,3-diazinan-2-one is sourced from PubChem (CID 54375708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).