1-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-diazinan-2-one

C10H16N2O2 — CID 130992688

IUPAC1-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1CC1C2COCC21
InChIInChI=1S/C10H16N2O2/c13-10-11-2-1-3-12(10)4-7-8-5-14-6-9(7)8/h7-9H,1-6H2,(H,11,13)
InChIKeyNWVXVUAQGPIWFY-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.29
Rot. Bonds2

About 1-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-diazinan-2-one

1-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-diazinan-2-one (PubChem CID 130992688) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-diazinan-2-one
PubChem CID130992688
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1CC1C2COCC21
InChIInChI=1S/C10H16N2O2/c13-10-11-2-1-3-12(10)4-7-8-5-14-6-9(7)8/h7-9H,1-6H2,(H,11,13)
InChIKeyNWVXVUAQGPIWFY-UHFFFAOYSA-N
XLogP0.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-diazinan-2-one (CID 130992688) is 1-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-diazinan-2-one is O=C1NCCCN1CC1C2COCC21.
What is the InChIKey of 1-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-diazinan-2-one?
The InChIKey is NWVXVUAQGPIWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-10-11-2-1-3-12(10)4-7-8-5-14-6-9(7)8/h7-9H,1-6H2,(H,11,13).
What are the key properties of 1-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-diazinan-2-one?
1-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-diazinan-2-one has a molecular weight of 196.25 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 130992688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).