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

C8H16N2O2 — CID 59934958

IUPAC1-(3-methoxypropyl)-1,3-diazinan-2-one
SMILESCOCCCN1CCCNC1=O
InChIInChI=1S/C8H16N2O2/c1-12-7-3-6-10-5-2-4-9-8(10)11/h2-7H2,1H3,(H,9,11)
InChIKeyCMCQEAWXXZKPFJ-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.44
Rot. Bonds4

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

1-(3-methoxypropyl)-1,3-diazinan-2-one (PubChem CID 59934958) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(3-methoxypropyl)-1,3-diazinan-2-one
PubChem CID59934958
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-(3-methoxypropyl)-1,3-diazinan-2-one
SMILESCOCCCN1CCCNC1=O
InChIInChI=1S/C8H16N2O2/c1-12-7-3-6-10-5-2-4-9-8(10)11/h2-7H2,1H3,(H,9,11)
InChIKeyCMCQEAWXXZKPFJ-UHFFFAOYSA-N
XLogP0.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3-methoxypropyl)-1,3-diazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(3-methoxypropyl)-1,3-diazinan-2-one (CID 59934958) is 1-(3-methoxypropyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(3-methoxypropyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(3-methoxypropyl)-1,3-diazinan-2-one is COCCCN1CCCNC1=O.
What is the InChIKey of 1-(3-methoxypropyl)-1,3-diazinan-2-one?
The InChIKey is CMCQEAWXXZKPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-12-7-3-6-10-5-2-4-9-8(10)11/h2-7H2,1H3,(H,9,11).
What are the key properties of 1-(3-methoxypropyl)-1,3-diazinan-2-one?
1-(3-methoxypropyl)-1,3-diazinan-2-one has a molecular weight of 172.23 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-1,3-diazinan-2-one is sourced from PubChem (CID 59934958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).