1-(1-hydroxy-2-methylbutan-2-yl)-1,3-diazinan-2-one

C9H18N2O2 — CID 104549687

IUPAC1-(1-hydroxy-2-methylbutan-2-yl)-1,3-diazinan-2-one
SMILESCCC(C)(CO)N1CCCNC1=O
InChIInChI=1S/C9H18N2O2/c1-3-9(2,7-12)11-6-4-5-10-8(11)13/h12H,3-7H2,1-2H3,(H,10,13)
InChIKeyHUDIWXZSXFLXSK-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.56
Rot. Bonds3

About 1-(1-hydroxy-2-methylbutan-2-yl)-1,3-diazinan-2-one

1-(1-hydroxy-2-methylbutan-2-yl)-1,3-diazinan-2-one (PubChem CID 104549687) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylbutan-2-yl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylbutan-2-yl)-1,3-diazinan-2-one
PubChem CID104549687
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(1-hydroxy-2-methylbutan-2-yl)-1,3-diazinan-2-one
SMILESCCC(C)(CO)N1CCCNC1=O
InChIInChI=1S/C9H18N2O2/c1-3-9(2,7-12)11-6-4-5-10-8(11)13/h12H,3-7H2,1-2H3,(H,10,13)
InChIKeyHUDIWXZSXFLXSK-UHFFFAOYSA-N
XLogP0.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylbutan-2-yl)-1,3-diazinan-2-one?
The IUPAC name of 1-(1-hydroxy-2-methylbutan-2-yl)-1,3-diazinan-2-one (CID 104549687) is 1-(1-hydroxy-2-methylbutan-2-yl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(1-hydroxy-2-methylbutan-2-yl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(1-hydroxy-2-methylbutan-2-yl)-1,3-diazinan-2-one is CCC(C)(CO)N1CCCNC1=O.
What is the InChIKey of 1-(1-hydroxy-2-methylbutan-2-yl)-1,3-diazinan-2-one?
The InChIKey is HUDIWXZSXFLXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-9(2,7-12)11-6-4-5-10-8(11)13/h12H,3-7H2,1-2H3,(H,10,13).
What are the key properties of 1-(1-hydroxy-2-methylbutan-2-yl)-1,3-diazinan-2-one?
1-(1-hydroxy-2-methylbutan-2-yl)-1,3-diazinan-2-one has a molecular weight of 186.25 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylbutan-2-yl)-1,3-diazinan-2-one is sourced from PubChem (CID 104549687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).