1-[2-(2-methylprop-2-enoxy)ethyl]-1,3-diazinan-2-one

C10H18N2O2 — CID 114469875

IUPAC1-[2-(2-methylprop-2-enoxy)ethyl]-1,3-diazinan-2-one
SMILESC=C(C)COCCN1CCCNC1=O
InChIInChI=1S/C10H18N2O2/c1-9(2)8-14-7-6-12-5-3-4-11-10(12)13/h1,3-8H2,2H3,(H,11,13)
InChIKeyURHRFYJCEVEDFP-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.99
Rot. Bonds5

About 1-[2-(2-methylprop-2-enoxy)ethyl]-1,3-diazinan-2-one

1-[2-(2-methylprop-2-enoxy)ethyl]-1,3-diazinan-2-one (PubChem CID 114469875) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-[2-(2-methylprop-2-enoxy)ethyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[2-(2-methylprop-2-enoxy)ethyl]-1,3-diazinan-2-one
PubChem CID114469875
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-[2-(2-methylprop-2-enoxy)ethyl]-1,3-diazinan-2-one
SMILESC=C(C)COCCN1CCCNC1=O
InChIInChI=1S/C10H18N2O2/c1-9(2)8-14-7-6-12-5-3-4-11-10(12)13/h1,3-8H2,2H3,(H,11,13)
InChIKeyURHRFYJCEVEDFP-UHFFFAOYSA-N
XLogP0.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylprop-2-enoxy)ethyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[2-(2-methylprop-2-enoxy)ethyl]-1,3-diazinan-2-one (CID 114469875) is 1-[2-(2-methylprop-2-enoxy)ethyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[2-(2-methylprop-2-enoxy)ethyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[2-(2-methylprop-2-enoxy)ethyl]-1,3-diazinan-2-one is C=C(C)COCCN1CCCNC1=O.
What is the InChIKey of 1-[2-(2-methylprop-2-enoxy)ethyl]-1,3-diazinan-2-one?
The InChIKey is URHRFYJCEVEDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-9(2)8-14-7-6-12-5-3-4-11-10(12)13/h1,3-8H2,2H3,(H,11,13).
What are the key properties of 1-[2-(2-methylprop-2-enoxy)ethyl]-1,3-diazinan-2-one?
1-[2-(2-methylprop-2-enoxy)ethyl]-1,3-diazinan-2-one has a molecular weight of 198.27 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylprop-2-enoxy)ethyl]-1,3-diazinan-2-one is sourced from PubChem (CID 114469875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).