1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinan-2-one

C13H16N2O2 — CID 113296325

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1C1CCOc2ccccc21
InChIInChI=1S/C13H16N2O2/c16-13-14-7-3-8-15(13)11-6-9-17-12-5-2-1-4-10(11)12/h1-2,4-5,11H,3,6-9H2,(H,14,16)
InChIKeyNWCYCODBMIPTSS-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.93
Rot. Bonds1

About 1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinan-2-one

1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinan-2-one (PubChem CID 113296325) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinan-2-one
PubChem CID113296325
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1C1CCOc2ccccc21
InChIInChI=1S/C13H16N2O2/c16-13-14-7-3-8-15(13)11-6-9-17-12-5-2-1-4-10(11)12/h1-2,4-5,11H,3,6-9H2,(H,14,16)
InChIKeyNWCYCODBMIPTSS-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinan-2-one?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinan-2-one (CID 113296325) is 1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinan-2-one is O=C1NCCCN1C1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinan-2-one?
The InChIKey is NWCYCODBMIPTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-13-14-7-3-8-15(13)11-6-9-17-12-5-2-1-4-10(11)12/h1-2,4-5,11H,3,6-9H2,(H,14,16).
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinan-2-one?
1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinan-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinan-2-one is sourced from PubChem (CID 113296325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).