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

C8H13N2O+ — CID 21325580

IUPAC1,1-bis(ethenyl)-1,3-diazinan-1-ium-2-one
SMILESC=C[N+]1(C=C)CCCNC1=O
InChIInChI=1S/C8H12N2O/c1-3-10(4-2)7-5-6-9-8(10)11/h3-4H,1-2,5-7H2/p+1
InChIKeyHYCMIVOGHKOAIE-UHFFFAOYSA-O
MW153.20 g/mol
LogP1.20
Rot. Bonds2

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

1,1-bis(ethenyl)-1,3-diazinan-1-ium-2-one (PubChem CID 21325580) has the molecular formula C8H13N2O+ and a molecular weight of 153.20 g/mol. Its IUPAC name is 1,1-bis(ethenyl)-1,3-diazinan-1-ium-2-one.

Molecular Properties

Compound Name1,1-bis(ethenyl)-1,3-diazinan-1-ium-2-one
PubChem CID21325580
Molecular FormulaC8H13N2O+
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name1,1-bis(ethenyl)-1,3-diazinan-1-ium-2-one
SMILESC=C[N+]1(C=C)CCCNC1=O
InChIInChI=1S/C8H12N2O/c1-3-10(4-2)7-5-6-9-8(10)11/h3-4H,1-2,5-7H2/p+1
InChIKeyHYCMIVOGHKOAIE-UHFFFAOYSA-O
XLogP1.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(ethenyl)-1,3-diazinan-1-ium-2-one?
The IUPAC name of 1,1-bis(ethenyl)-1,3-diazinan-1-ium-2-one (CID 21325580) is 1,1-bis(ethenyl)-1,3-diazinan-1-ium-2-one.
What is the SMILES notation for 1,1-bis(ethenyl)-1,3-diazinan-1-ium-2-one?
The canonical SMILES for 1,1-bis(ethenyl)-1,3-diazinan-1-ium-2-one is C=C[N+]1(C=C)CCCNC1=O.
What is the InChIKey of 1,1-bis(ethenyl)-1,3-diazinan-1-ium-2-one?
The InChIKey is HYCMIVOGHKOAIE-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H12N2O/c1-3-10(4-2)7-5-6-9-8(10)11/h3-4H,1-2,5-7H2/p+1.
What are the key properties of 1,1-bis(ethenyl)-1,3-diazinan-1-ium-2-one?
1,1-bis(ethenyl)-1,3-diazinan-1-ium-2-one has a molecular weight of 153.20 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(ethenyl)-1,3-diazinan-1-ium-2-one is sourced from PubChem (CID 21325580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).