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

C8H16N2O2 — CID 57473480

IUPAC1-(3-hydroxypropyl)-3-methyl-1,3-diazinan-2-one
SMILESCN1CCCN(CCCO)C1=O
InChIInChI=1S/C8H16N2O2/c1-9-4-2-5-10(8(9)12)6-3-7-11/h11H,2-7H2,1H3
InChIKeySSVVICCNWFNKHU-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.13
Rot. Bonds3

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

1-(3-hydroxypropyl)-3-methyl-1,3-diazinan-2-one (PubChem CID 57473480) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-methyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-methyl-1,3-diazinan-2-one
PubChem CID57473480
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-(3-hydroxypropyl)-3-methyl-1,3-diazinan-2-one
SMILESCN1CCCN(CCCO)C1=O
InChIInChI=1S/C8H16N2O2/c1-9-4-2-5-10(8(9)12)6-3-7-11/h11H,2-7H2,1H3
InChIKeySSVVICCNWFNKHU-UHFFFAOYSA-N
XLogP0.13
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-methyl-1,3-diazinan-2-one?
The IUPAC name of 1-(3-hydroxypropyl)-3-methyl-1,3-diazinan-2-one (CID 57473480) is 1-(3-hydroxypropyl)-3-methyl-1,3-diazinan-2-one.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-methyl-1,3-diazinan-2-one?
The canonical SMILES for 1-(3-hydroxypropyl)-3-methyl-1,3-diazinan-2-one is CN1CCCN(CCCO)C1=O.
What is the InChIKey of 1-(3-hydroxypropyl)-3-methyl-1,3-diazinan-2-one?
The InChIKey is SSVVICCNWFNKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-9-4-2-5-10(8(9)12)6-3-7-11/h11H,2-7H2,1H3.
What are the key properties of 1-(3-hydroxypropyl)-3-methyl-1,3-diazinan-2-one?
1-(3-hydroxypropyl)-3-methyl-1,3-diazinan-2-one has a molecular weight of 172.23 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-methyl-1,3-diazinan-2-one is sourced from PubChem (CID 57473480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).