1-(1,3-benzodioxol-5-yl)-1,3-diazinan-2-one

C11H12N2O3 — CID 115370915

IUPAC1-(1,3-benzodioxol-5-yl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1ccc2c(c1)OCO2
InChIInChI=1S/C11H12N2O3/c14-11-12-4-1-5-13(11)8-2-3-9-10(6-8)16-7-15-9/h2-3,6H,1,4-5,7H2,(H,12,14)
InChIKeyDJOSTKWORMLXSN-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.34
Rot. Bonds1

About 1-(1,3-benzodioxol-5-yl)-1,3-diazinan-2-one

1-(1,3-benzodioxol-5-yl)-1,3-diazinan-2-one (PubChem CID 115370915) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-1,3-diazinan-2-one
PubChem CID115370915
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name1-(1,3-benzodioxol-5-yl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1ccc2c(c1)OCO2
InChIInChI=1S/C11H12N2O3/c14-11-12-4-1-5-13(11)8-2-3-9-10(6-8)16-7-15-9/h2-3,6H,1,4-5,7H2,(H,12,14)
InChIKeyDJOSTKWORMLXSN-UHFFFAOYSA-N
XLogP1.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-diazinan-2-one
CID 115370868
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 110666657
1-(3,4-difluorophenyl)-1,3-diazinan-2-one
CID 115370833
1-(1,3-benzodioxol-5-yl)-3-methylpiperazin-2-one
CID 24716105
1-(1,3-benzodioxol-5-ylmethyl)-1,3-diazinan-2-one;hydrobromide
CID 141132278
4-(1,3-benzodioxol-5-yl)morpholine-2,3-dione
CID 117005555
1-(4-aminophenyl)-1,3-diazinan-2-one;hydrochloride
CID 69400856
1-(1,3-benzodioxol-5-yl)-4-methylpiperazine-2,3-dione
CID 117026437
1-(4-chloro-3-fluorophenyl)-1,3-diazinan-2-one
CID 115371068
1-(1,3-benzodioxol-5-yl)piperidine
CID 15712176
1-(1,3-benzodioxol-5-yl)piperidin-4-one
CID 2728521
1-(4-piperazin-1-ylphenyl)-1,3-diazinan-2-one
CID 82514207

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-1,3-diazinan-2-one?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-1,3-diazinan-2-one (CID 115370915) is 1-(1,3-benzodioxol-5-yl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-1,3-diazinan-2-one is O=C1NCCCN1c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-1,3-diazinan-2-one?
The InChIKey is DJOSTKWORMLXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-11-12-4-1-5-13(11)8-2-3-9-10(6-8)16-7-15-9/h2-3,6H,1,4-5,7H2,(H,12,14).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-1,3-diazinan-2-one?
1-(1,3-benzodioxol-5-yl)-1,3-diazinan-2-one has a molecular weight of 220.23 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-1,3-diazinan-2-one is sourced from PubChem (CID 115370915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).