1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-diazinan-2-one

C14H18N2O — CID 113296320

IUPAC1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1C1CCc2ccccc2C1
InChIInChI=1S/C14H18N2O/c17-14-15-8-3-9-16(14)13-7-6-11-4-1-2-5-12(11)10-13/h1-2,4-5,13H,3,6-10H2,(H,15,17)
InChIKeyOFKDTALBFROTAU-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.96
Rot. Bonds1

About 1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-diazinan-2-one

1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-diazinan-2-one (PubChem CID 113296320) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-diazinan-2-one
PubChem CID113296320
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1C1CCc2ccccc2C1
InChIInChI=1S/C14H18N2O/c17-14-15-8-3-9-16(14)13-7-6-11-4-1-2-5-12(11)10-13/h1-2,4-5,13H,3,6-10H2,(H,15,17)
InChIKeyOFKDTALBFROTAU-UHFFFAOYSA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-diazinan-2-one?
The IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-diazinan-2-one (CID 113296320) is 1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-diazinan-2-one is O=C1NCCCN1C1CCc2ccccc2C1.
What is the InChIKey of 1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-diazinan-2-one?
The InChIKey is OFKDTALBFROTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c17-14-15-8-3-9-16(14)13-7-6-11-4-1-2-5-12(11)10-13/h1-2,4-5,13H,3,6-10H2,(H,15,17).
What are the key properties of 1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-diazinan-2-one?
1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-diazinan-2-one has a molecular weight of 230.31 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-diazinan-2-one is sourced from PubChem (CID 113296320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).