4,5-bis(ethenyl)-1,3-diazinane

C8H14N2 — CID 142845496

IUPAC4,5-bis(ethenyl)-1,3-diazinane
SMILESC=CC1CNCNC1C=C
InChIInChI=1S/C8H14N2/c1-3-7-5-9-6-10-8(7)4-2/h3-4,7-10H,1-2,5-6H2
InChIKeyNLQGXQYKXUMZBX-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.49
Rot. Bonds2

About 4,5-bis(ethenyl)-1,3-diazinane

4,5-bis(ethenyl)-1,3-diazinane (PubChem CID 142845496) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-1,3-diazinane.

Molecular Properties

Compound Name4,5-bis(ethenyl)-1,3-diazinane
PubChem CID142845496
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name4,5-bis(ethenyl)-1,3-diazinane
SMILESC=CC1CNCNC1C=C
InChIInChI=1S/C8H14N2/c1-3-7-5-9-6-10-8(7)4-2/h3-4,7-10H,1-2,5-6H2
InChIKeyNLQGXQYKXUMZBX-UHFFFAOYSA-N
XLogP0.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.49
H-Bond Donors ≤ 52
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 4,5-bis(ethenyl)-1,3-diazinane?
The IUPAC name of 4,5-bis(ethenyl)-1,3-diazinane (CID 142845496) is 4,5-bis(ethenyl)-1,3-diazinane.
What is the SMILES notation for 4,5-bis(ethenyl)-1,3-diazinane?
The canonical SMILES for 4,5-bis(ethenyl)-1,3-diazinane is C=CC1CNCNC1C=C.
What is the InChIKey of 4,5-bis(ethenyl)-1,3-diazinane?
The InChIKey is NLQGXQYKXUMZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-7-5-9-6-10-8(7)4-2/h3-4,7-10H,1-2,5-6H2.
What are the key properties of 4,5-bis(ethenyl)-1,3-diazinane?
4,5-bis(ethenyl)-1,3-diazinane has a molecular weight of 138.21 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-1,3-diazinane is sourced from PubChem (CID 142845496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).