N-(4-bromooxolan-3-yl)-1,4-dioxane-2-carboxamide

C9H14BrNO4 — CID 130751499

IUPACN-(4-bromooxolan-3-yl)-1,4-dioxane-2-carboxamide
SMILESO=C(NC1COCC1Br)C1COCCO1
InChIInChI=1S/C9H14BrNO4/c10-6-3-14-4-7(6)11-9(12)8-5-13-1-2-15-8/h6-8H,1-5H2,(H,11,12)
InChIKeyMAWLFQNJWMGSOP-UHFFFAOYSA-N
MW280.12 g/mol
LogP-0.32
Rot. Bonds2

About N-(4-bromooxolan-3-yl)-1,4-dioxane-2-carboxamide

N-(4-bromooxolan-3-yl)-1,4-dioxane-2-carboxamide (PubChem CID 130751499) has the molecular formula C9H14BrNO4 and a molecular weight of 280.12 g/mol. Its IUPAC name is N-(4-bromooxolan-3-yl)-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromooxolan-3-yl)-1,4-dioxane-2-carboxamide
PubChem CID130751499
Molecular FormulaC9H14BrNO4
Molecular Weight280.12 g/mol
Exact Mass279.01
IUPAC NameN-(4-bromooxolan-3-yl)-1,4-dioxane-2-carboxamide
SMILESO=C(NC1COCC1Br)C1COCCO1
InChIInChI=1S/C9H14BrNO4/c10-6-3-14-4-7(6)11-9(12)8-5-13-1-2-15-8/h6-8H,1-5H2,(H,11,12)
InChIKeyMAWLFQNJWMGSOP-UHFFFAOYSA-N
XLogP-0.32
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxycyclohexyl)-1,4-dioxane-2-carboxamide
CID 43427952
N-(4-bromooxolan-3-yl)-2-methylcyclopropane-1-carboxamide
CID 130654779
N-(4-bromooxolan-3-yl)-3-methyloxolane-2-carboxamide
CID 130751487
(1R,2R,4S,5S)-4-(1,4-dioxane-2-carbonylamino)bicyclo[3.1.0]hexane-2-carboxylic acid
CID 154867362
N-(4-bromooxolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 130688420
N-piperidin-4-yl-1,4-dioxane-2-carboxamide
CID 43662827
N-methoxy-1,4-dioxane-2-carboxamide
CID 60756146
3-(1,4-dioxane-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 63044373
N-(1-tert-butylpiperidin-4-yl)-1,4-dioxane-2-carboxamide
CID 47340962
N-(6-bromohexyl)-1,4-dioxane-2-carboxamide
CID 107847920
N-(2-amino-2-methylpropyl)-1,4-dioxane-2-carboxamide
CID 81424788
N-[3-(2-bromoethoxy)propyl]-1,4-dioxane-2-carboxamide
CID 106307776

Frequently Asked Questions

What is the IUPAC name of N-(4-bromooxolan-3-yl)-1,4-dioxane-2-carboxamide?
The IUPAC name of N-(4-bromooxolan-3-yl)-1,4-dioxane-2-carboxamide (CID 130751499) is N-(4-bromooxolan-3-yl)-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-(4-bromooxolan-3-yl)-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-(4-bromooxolan-3-yl)-1,4-dioxane-2-carboxamide is O=C(NC1COCC1Br)C1COCCO1.
What is the InChIKey of N-(4-bromooxolan-3-yl)-1,4-dioxane-2-carboxamide?
The InChIKey is MAWLFQNJWMGSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO4/c10-6-3-14-4-7(6)11-9(12)8-5-13-1-2-15-8/h6-8H,1-5H2,(H,11,12).
What are the key properties of N-(4-bromooxolan-3-yl)-1,4-dioxane-2-carboxamide?
N-(4-bromooxolan-3-yl)-1,4-dioxane-2-carboxamide has a molecular weight of 280.12 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromooxolan-3-yl)-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 130751499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).