5-(2-methoxyethoxy)diazinan-3-one

C7H14N2O3 — CID 71303472

IUPAC5-(2-methoxyethoxy)diazinan-3-one
SMILESCOCCOC1CNNC(=O)C1
InChIInChI=1S/C7H14N2O3/c1-11-2-3-12-6-4-7(10)9-8-5-6/h6,8H,2-5H2,1H3,(H,9,10)
InChIKeyRQWYEDPFJKFUBL-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.96
Rot. Bonds4

About 5-(2-methoxyethoxy)diazinan-3-one

5-(2-methoxyethoxy)diazinan-3-one (PubChem CID 71303472) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 5-(2-methoxyethoxy)diazinan-3-one.

Molecular Properties

Compound Name5-(2-methoxyethoxy)diazinan-3-one
PubChem CID71303472
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name5-(2-methoxyethoxy)diazinan-3-one
SMILESCOCCOC1CNNC(=O)C1
InChIInChI=1S/C7H14N2O3/c1-11-2-3-12-6-4-7(10)9-8-5-6/h6,8H,2-5H2,1H3,(H,9,10)
InChIKeyRQWYEDPFJKFUBL-UHFFFAOYSA-N
XLogP-0.96
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(2-methoxyethoxy)diazinan-3-one with MolForge

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

Launch Full Analysis

Related Compounds

5-ethyldiazinan-3-one
CID 71303752
(2S,4R)-4-(2-methoxyethoxy)-2-methylpyrrolidine
CID 99994836
3-[2-(2-methoxyethoxy)ethoxy]cyclopentan-1-one
CID 104563937
3-(2-methoxyethoxy)pyrrolidine
CID 18337162
3-[2-(2-methoxyethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
CID 107387379
(2S,4S)-2-ethyl-4-(2-methoxyethoxy)pyrrolidine
CID 99994845
2-methoxyethoxycyclohexane
CID 20550469
(4R)-4-methoxypyrrolidin-2-one
CID 67765203
1-(2-methoxyethoxy)-2-methylidenecyclopropane
CID 101364764
(2R,4S)-4-(2-methoxyethoxy)-2-propan-2-ylpyrrolidine
CID 99994884
5-(2-methoxyethoxy)cyclohex-2-ene-1,4-dione
CID 90234974
2-methoxyethyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 156790382

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxy)diazinan-3-one?
The IUPAC name of 5-(2-methoxyethoxy)diazinan-3-one (CID 71303472) is 5-(2-methoxyethoxy)diazinan-3-one.
What is the SMILES notation for 5-(2-methoxyethoxy)diazinan-3-one?
The canonical SMILES for 5-(2-methoxyethoxy)diazinan-3-one is COCCOC1CNNC(=O)C1.
What is the InChIKey of 5-(2-methoxyethoxy)diazinan-3-one?
The InChIKey is RQWYEDPFJKFUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-11-2-3-12-6-4-7(10)9-8-5-6/h6,8H,2-5H2,1H3,(H,9,10).
What are the key properties of 5-(2-methoxyethoxy)diazinan-3-one?
5-(2-methoxyethoxy)diazinan-3-one has a molecular weight of 174.20 g/mol, XLogP of -0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxy)diazinan-3-one is sourced from PubChem (CID 71303472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).