1-cyclobutyl-3-(3-hydroxypropyl)-1,3-diazinan-2-one

C11H20N2O2 — CID 84782376

IUPAC1-cyclobutyl-3-(3-hydroxypropyl)-1,3-diazinan-2-one
SMILESO=C1N(CCCO)CCCN1C1CCC1
InChIInChI=1S/C11H20N2O2/c14-9-3-7-12-6-2-8-13(11(12)15)10-4-1-5-10/h10,14H,1-9H2
InChIKeyDXMMLCOLCJFPDT-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.05
Rot. Bonds4

About 1-cyclobutyl-3-(3-hydroxypropyl)-1,3-diazinan-2-one

1-cyclobutyl-3-(3-hydroxypropyl)-1,3-diazinan-2-one (PubChem CID 84782376) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-cyclobutyl-3-(3-hydroxypropyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-cyclobutyl-3-(3-hydroxypropyl)-1,3-diazinan-2-one
PubChem CID84782376
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-cyclobutyl-3-(3-hydroxypropyl)-1,3-diazinan-2-one
SMILESO=C1N(CCCO)CCCN1C1CCC1
InChIInChI=1S/C11H20N2O2/c14-9-3-7-12-6-2-8-13(11(12)15)10-4-1-5-10/h10,14H,1-9H2
InChIKeyDXMMLCOLCJFPDT-UHFFFAOYSA-N
XLogP1.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(3-hydroxypropyl)-1,3-diazinan-2-one?
The IUPAC name of 1-cyclobutyl-3-(3-hydroxypropyl)-1,3-diazinan-2-one (CID 84782376) is 1-cyclobutyl-3-(3-hydroxypropyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-cyclobutyl-3-(3-hydroxypropyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-cyclobutyl-3-(3-hydroxypropyl)-1,3-diazinan-2-one is O=C1N(CCCO)CCCN1C1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(3-hydroxypropyl)-1,3-diazinan-2-one?
The InChIKey is DXMMLCOLCJFPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-9-3-7-12-6-2-8-13(11(12)15)10-4-1-5-10/h10,14H,1-9H2.
What are the key properties of 1-cyclobutyl-3-(3-hydroxypropyl)-1,3-diazinan-2-one?
1-cyclobutyl-3-(3-hydroxypropyl)-1,3-diazinan-2-one has a molecular weight of 212.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(3-hydroxypropyl)-1,3-diazinan-2-one is sourced from PubChem (CID 84782376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).