1-ethyl-6-iodo-1,3-diazinan-2-one

C6H11IN2O — CID 148908542

IUPAC1-ethyl-6-iodo-1,3-diazinan-2-one
SMILESCCN1C(=O)NCCC1I
InChIInChI=1S/C6H11IN2O/c1-2-9-5(7)3-4-8-6(9)10/h5H,2-4H2,1H3,(H,8,10)
InChIKeyPIEBAJMIGVGPER-UHFFFAOYSA-N
MW254.07 g/mol
LogP1.18
Rot. Bonds1

About 1-ethyl-6-iodo-1,3-diazinan-2-one

1-ethyl-6-iodo-1,3-diazinan-2-one (PubChem CID 148908542) has the molecular formula C6H11IN2O and a molecular weight of 254.07 g/mol. Its IUPAC name is 1-ethyl-6-iodo-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-ethyl-6-iodo-1,3-diazinan-2-one
PubChem CID148908542
Molecular FormulaC6H11IN2O
Molecular Weight254.07 g/mol
Exact Mass253.99
IUPAC Name1-ethyl-6-iodo-1,3-diazinan-2-one
SMILESCCN1C(=O)NCCC1I
InChIInChI=1S/C6H11IN2O/c1-2-9-5(7)3-4-8-6(9)10/h5H,2-4H2,1H3,(H,8,10)
InChIKeyPIEBAJMIGVGPER-UHFFFAOYSA-N
XLogP1.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.07
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(3aS,6aS)-3,6-diethyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
CID 698690
1-ethylimidazolidin-2-one;hydrochloride
CID 21472714
5-tert-butyl-1-ethylimidazolidin-2-one
CID 146188029
1-ethyl-1,3-diazinan-2-one
CID 21479220
(3aS,4S,6aR)-3-ethyl-4-iodo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-one
CID 87756713
5-iodo-1-methylimidazolidin-2-one
CID 149054105
3-ethyl-4-piperidin-4-yl-1,3-oxazolidin-2-one
CID 115064155
(5aR,9aR)-1-ethyl-5a,6,7,8,9,9a-hexahydro-5H-pyrido[4,3-e][1,4]oxazepin-2-one
CID 129322016
1,4-diethyl-1,3-diazetidin-2-one;ethane
CID 142054543
1-ethyl-6-propylpiperazine-2,5-dione
CID 64881606
1-(1-cyclopropylpropan-2-yl)imidazolidin-2-one
CID 115370687
1-(4-propylcyclohexyl)-1,3-diazinan-2-one
CID 115371043

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-iodo-1,3-diazinan-2-one?
The IUPAC name of 1-ethyl-6-iodo-1,3-diazinan-2-one (CID 148908542) is 1-ethyl-6-iodo-1,3-diazinan-2-one.
What is the SMILES notation for 1-ethyl-6-iodo-1,3-diazinan-2-one?
The canonical SMILES for 1-ethyl-6-iodo-1,3-diazinan-2-one is CCN1C(=O)NCCC1I.
What is the InChIKey of 1-ethyl-6-iodo-1,3-diazinan-2-one?
The InChIKey is PIEBAJMIGVGPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11IN2O/c1-2-9-5(7)3-4-8-6(9)10/h5H,2-4H2,1H3,(H,8,10).
What are the key properties of 1-ethyl-6-iodo-1,3-diazinan-2-one?
1-ethyl-6-iodo-1,3-diazinan-2-one has a molecular weight of 254.07 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-iodo-1,3-diazinan-2-one is sourced from PubChem (CID 148908542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).