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

C11H20N2O — CID 115371267

IUPAC1-(2,2,3,3-tetramethylcyclopropyl)-1,3-diazinan-2-one
SMILESCC1(C)C(N2CCCNC2=O)C1(C)C
InChIInChI=1S/C11H20N2O/c1-10(2)8(11(10,3)4)13-7-5-6-12-9(13)14/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyLLJMVEKGHSWHOE-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.84
Rot. Bonds1

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

1-(2,2,3,3-tetramethylcyclopropyl)-1,3-diazinan-2-one (PubChem CID 115371267) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(2,2,3,3-tetramethylcyclopropyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(2,2,3,3-tetramethylcyclopropyl)-1,3-diazinan-2-one
PubChem CID115371267
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(2,2,3,3-tetramethylcyclopropyl)-1,3-diazinan-2-one
SMILESCC1(C)C(N2CCCNC2=O)C1(C)C
InChIInChI=1S/C11H20N2O/c1-10(2)8(11(10,3)4)13-7-5-6-12-9(13)14/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyLLJMVEKGHSWHOE-UHFFFAOYSA-N
XLogP1.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetramethylcyclopropyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(2,2,3,3-tetramethylcyclopropyl)-1,3-diazinan-2-one (CID 115371267) is 1-(2,2,3,3-tetramethylcyclopropyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(2,2,3,3-tetramethylcyclopropyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(2,2,3,3-tetramethylcyclopropyl)-1,3-diazinan-2-one is CC1(C)C(N2CCCNC2=O)C1(C)C.
What is the InChIKey of 1-(2,2,3,3-tetramethylcyclopropyl)-1,3-diazinan-2-one?
The InChIKey is LLJMVEKGHSWHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(2)8(11(10,3)4)13-7-5-6-12-9(13)14/h8H,5-7H2,1-4H3,(H,12,14).
What are the key properties of 1-(2,2,3,3-tetramethylcyclopropyl)-1,3-diazinan-2-one?
1-(2,2,3,3-tetramethylcyclopropyl)-1,3-diazinan-2-one has a molecular weight of 196.29 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetramethylcyclopropyl)-1,3-diazinan-2-one is sourced from PubChem (CID 115371267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).