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

C8H16N2O2 — CID 20764051

IUPAC1-(2-hydroxybutyl)-1,3-diazinan-2-one
SMILESCCC(O)CN1CCCNC1=O
InChIInChI=1S/C8H16N2O2/c1-2-7(11)6-10-5-3-4-9-8(10)12/h7,11H,2-6H2,1H3,(H,9,12)
InChIKeySAFBBRVOONCDPC-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.17
Rot. Bonds3

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

1-(2-hydroxybutyl)-1,3-diazinan-2-one (PubChem CID 20764051) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(2-hydroxybutyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(2-hydroxybutyl)-1,3-diazinan-2-one
PubChem CID20764051
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-(2-hydroxybutyl)-1,3-diazinan-2-one
SMILESCCC(O)CN1CCCNC1=O
InChIInChI=1S/C8H16N2O2/c1-2-7(11)6-10-5-3-4-9-8(10)12/h7,11H,2-6H2,1H3,(H,9,12)
InChIKeySAFBBRVOONCDPC-UHFFFAOYSA-N
XLogP0.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxybutyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(2-hydroxybutyl)-1,3-diazinan-2-one (CID 20764051) is 1-(2-hydroxybutyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(2-hydroxybutyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(2-hydroxybutyl)-1,3-diazinan-2-one is CCC(O)CN1CCCNC1=O.
What is the InChIKey of 1-(2-hydroxybutyl)-1,3-diazinan-2-one?
The InChIKey is SAFBBRVOONCDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-7(11)6-10-5-3-4-9-8(10)12/h7,11H,2-6H2,1H3,(H,9,12).
What are the key properties of 1-(2-hydroxybutyl)-1,3-diazinan-2-one?
1-(2-hydroxybutyl)-1,3-diazinan-2-one has a molecular weight of 172.23 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxybutyl)-1,3-diazinan-2-one is sourced from PubChem (CID 20764051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).