1-(benzylideneamino)-1,3-diazinan-2-one

C11H13N3O — CID 54495459

IUPAC1-(benzylideneamino)-1,3-diazinan-2-one
SMILESO=C1NCCCN1N=Cc1ccccc1
InChIInChI=1S/C11H13N3O/c15-11-12-7-4-8-14(11)13-9-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,12,15)
InChIKeyXYTNLEHYVFQWMR-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.44
Rot. Bonds2

About 1-(benzylideneamino)-1,3-diazinan-2-one

1-(benzylideneamino)-1,3-diazinan-2-one (PubChem CID 54495459) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-(benzylideneamino)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(benzylideneamino)-1,3-diazinan-2-one
PubChem CID54495459
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name1-(benzylideneamino)-1,3-diazinan-2-one
SMILESO=C1NCCCN1N=Cc1ccccc1
InChIInChI=1S/C11H13N3O/c15-11-12-7-4-8-14(11)13-9-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,12,15)
InChIKeyXYTNLEHYVFQWMR-UHFFFAOYSA-N
XLogP1.44
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(benzylideneamino)-1,3-diazinan-2-one?
The IUPAC name of 1-(benzylideneamino)-1,3-diazinan-2-one (CID 54495459) is 1-(benzylideneamino)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(benzylideneamino)-1,3-diazinan-2-one?
The canonical SMILES for 1-(benzylideneamino)-1,3-diazinan-2-one is O=C1NCCCN1N=Cc1ccccc1.
What is the InChIKey of 1-(benzylideneamino)-1,3-diazinan-2-one?
The InChIKey is XYTNLEHYVFQWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c15-11-12-7-4-8-14(11)13-9-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,12,15).
What are the key properties of 1-(benzylideneamino)-1,3-diazinan-2-one?
1-(benzylideneamino)-1,3-diazinan-2-one has a molecular weight of 203.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylideneamino)-1,3-diazinan-2-one is sourced from PubChem (CID 54495459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).