5-nitro-N-propan-2-ylfuran-2-carbohydrazonoyl bromide

C8H10BrN3O3 — CID 173450252

IUPAC5-nitro-N-propan-2-ylfuran-2-carbohydrazonoyl bromide
SMILESCC(C)NN=C(Br)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C8H10BrN3O3/c1-5(2)10-11-8(9)6-3-4-7(15-6)12(13)14/h3-5,10H,1-2H3
InChIKeyVLGFFLWLIOZIEU-UHFFFAOYSA-N
MW276.09 g/mol
LogP2.24
Rot. Bonds4

About 5-nitro-N-propan-2-ylfuran-2-carbohydrazonoyl bromide

5-nitro-N-propan-2-ylfuran-2-carbohydrazonoyl bromide (PubChem CID 173450252) has the molecular formula C8H10BrN3O3 and a molecular weight of 276.09 g/mol. Its IUPAC name is 5-nitro-N-propan-2-ylfuran-2-carbohydrazonoyl bromide.

Molecular Properties

Compound Name5-nitro-N-propan-2-ylfuran-2-carbohydrazonoyl bromide
PubChem CID173450252
Molecular FormulaC8H10BrN3O3
Molecular Weight276.09 g/mol
Exact Mass274.99
IUPAC Name5-nitro-N-propan-2-ylfuran-2-carbohydrazonoyl bromide
SMILESCC(C)NN=C(Br)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C8H10BrN3O3/c1-5(2)10-11-8(9)6-3-4-7(15-6)12(13)14/h3-5,10H,1-2H3
InChIKeyVLGFFLWLIOZIEU-UHFFFAOYSA-N
XLogP2.24
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-bromoethenyl)-5-nitrofuran
CID 151316917
N-butan-2-yl-5-nitrofuran-2-carboxamide
CID 4273319
(2E)-N-hydroxy-5-nitrofuran-2-carboximidoyl chloride
CID 10888748
N'-methyl-5-nitrofuran-2-carbohydrazide
CID 3299962
5-nitrofuran-2-carboxylic acid;hydrochloride
CID 67281310
5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]furan-2-carboxamide
CID 112759087
[(Z)-[2-hydroxy-1-(5-nitrofuran-2-yl)ethylidene]amino]urea
CID 6536920
4-nitro-N-[1-(5-nitrofuran-2-yl)ethylideneamino]aniline
CID 2831871
2-bromo-1-(5-nitrofuran-2-yl)ethanone
CID 11241786
butan-2-yl 5-nitrofuran-2-carboxylate
CID 5176362
N-(2-methylpropyl)-2-(5-nitrofuran-2-yl)prop-2-enamide
CID 21116929
bis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+)
CID 71731103

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-propan-2-ylfuran-2-carbohydrazonoyl bromide?
The IUPAC name of 5-nitro-N-propan-2-ylfuran-2-carbohydrazonoyl bromide (CID 173450252) is 5-nitro-N-propan-2-ylfuran-2-carbohydrazonoyl bromide.
What is the SMILES notation for 5-nitro-N-propan-2-ylfuran-2-carbohydrazonoyl bromide?
The canonical SMILES for 5-nitro-N-propan-2-ylfuran-2-carbohydrazonoyl bromide is CC(C)NN=C(Br)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-propan-2-ylfuran-2-carbohydrazonoyl bromide?
The InChIKey is VLGFFLWLIOZIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O3/c1-5(2)10-11-8(9)6-3-4-7(15-6)12(13)14/h3-5,10H,1-2H3.
What are the key properties of 5-nitro-N-propan-2-ylfuran-2-carbohydrazonoyl bromide?
5-nitro-N-propan-2-ylfuran-2-carbohydrazonoyl bromide has a molecular weight of 276.09 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-propan-2-ylfuran-2-carbohydrazonoyl bromide is sourced from PubChem (CID 173450252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).