1-(3-hydroxy-2-methylpropyl)diazinan-3-one

C8H16N2O2 — CID 105435173

IUPAC1-(3-hydroxy-2-methylpropyl)diazinan-3-one
SMILESCC(CO)CN1CCCC(=O)N1
InChIInChI=1S/C8H16N2O2/c1-7(6-11)5-10-4-2-3-8(12)9-10/h7,11H,2-6H2,1H3,(H,9,12)
InChIKeyWDXHVCYYZNNQHZ-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.26
Rot. Bonds3

About 1-(3-hydroxy-2-methylpropyl)diazinan-3-one

1-(3-hydroxy-2-methylpropyl)diazinan-3-one (PubChem CID 105435173) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(3-hydroxy-2-methylpropyl)diazinan-3-one.

Molecular Properties

Compound Name1-(3-hydroxy-2-methylpropyl)diazinan-3-one
PubChem CID105435173
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-(3-hydroxy-2-methylpropyl)diazinan-3-one
SMILESCC(CO)CN1CCCC(=O)N1
InChIInChI=1S/C8H16N2O2/c1-7(6-11)5-10-4-2-3-8(12)9-10/h7,11H,2-6H2,1H3,(H,9,12)
InChIKeyWDXHVCYYZNNQHZ-UHFFFAOYSA-N
XLogP-0.26
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-methylpropyl)diazinan-3-one?
The IUPAC name of 1-(3-hydroxy-2-methylpropyl)diazinan-3-one (CID 105435173) is 1-(3-hydroxy-2-methylpropyl)diazinan-3-one.
What is the SMILES notation for 1-(3-hydroxy-2-methylpropyl)diazinan-3-one?
The canonical SMILES for 1-(3-hydroxy-2-methylpropyl)diazinan-3-one is CC(CO)CN1CCCC(=O)N1.
What is the InChIKey of 1-(3-hydroxy-2-methylpropyl)diazinan-3-one?
The InChIKey is WDXHVCYYZNNQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7(6-11)5-10-4-2-3-8(12)9-10/h7,11H,2-6H2,1H3,(H,9,12).
What are the key properties of 1-(3-hydroxy-2-methylpropyl)diazinan-3-one?
1-(3-hydroxy-2-methylpropyl)diazinan-3-one has a molecular weight of 172.23 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-methylpropyl)diazinan-3-one is sourced from PubChem (CID 105435173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).