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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Related Compounds

1-(2-aminoethyl)-3-cyclobutyl-1,3-diazinan-2-one
CID 84774558
3-(3-cyclobutyl-2-oxo-1,3-diazinan-1-yl)propanal
CID 84781306
1-cyclopropyl-3-[2-(methylamino)ethyl]-1,3-diazinan-2-one
CID 84774559
2-(3-hydroxypropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092085
1-butyl-3-(2-hydroxyethyl)-1,3-diazinan-2-one
CID 21270270
2-[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-diazinan-1-yl]ethanimidamide
CID 142004867
3-(8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol
CID 130741046
1-cyclobutyl-3-(ethoxymethyl)imidazolidin-2-one
CID 166943016
3-amino-1-(4-hydroxybutyl)piperidin-2-one
CID 106846824
1-cyclohexyl-3-[4-[4-(2-hydroxyphenyl)piperidin-1-yl]butyl]imidazolidin-2-one
CID 18672133
1-[1-(5-hydroxypentyl)piperidin-3-yl]pyrrolidin-2-one
CID 111116676
1-piperidin-4-yl-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
CID 84807583

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).