2-(1,3-dinitrobutan-2-yl)furan

C8H10N2O5 — CID 73035350

IUPAC2-(1,3-dinitrobutan-2-yl)furan
SMILESCC(C(C[N+](=O)[O-])c1ccco1)[N+](=O)[O-]
InChIInChI=1S/C8H10N2O5/c1-6(10(13)14)7(5-9(11)12)8-3-2-4-15-8/h2-4,6-7H,5H2,1H3
InChIKeyZPTGPJUVFJFEFW-UHFFFAOYSA-N
MW214.18 g/mol
LogP1.31
Rot. Bonds5

About 2-(1,3-dinitrobutan-2-yl)furan

2-(1,3-dinitrobutan-2-yl)furan (PubChem CID 73035350) has the molecular formula C8H10N2O5 and a molecular weight of 214.18 g/mol. Its IUPAC name is 2-(1,3-dinitrobutan-2-yl)furan.

Molecular Properties

Compound Name2-(1,3-dinitrobutan-2-yl)furan
PubChem CID73035350
Molecular FormulaC8H10N2O5
Molecular Weight214.18 g/mol
Exact Mass214.06
IUPAC Name2-(1,3-dinitrobutan-2-yl)furan
SMILESCC(C(C[N+](=O)[O-])c1ccco1)[N+](=O)[O-]
InChIInChI=1S/C8H10N2O5/c1-6(10(13)14)7(5-9(11)12)8-3-2-4-15-8/h2-4,6-7H,5H2,1H3
InChIKeyZPTGPJUVFJFEFW-UHFFFAOYSA-N
XLogP1.31
TPSA99.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-1-nitropropan-2-yl]furan
CID 11159438
(1S,2R)-1-(furan-2-yl)-2-nitropropan-1-ol
CID 44604534
N-[(1R)-1-(furan-2-yl)-2-nitroethyl]acetamide
CID 134967815
ethyl 2-(furan-2-yl)-3-nitropropanoate
CID 101230332
1-(1,3-dinitrobutan-2-yl)-4-methylbenzene
CID 102516673
2-[(1R)-1-(furan-2-yl)-2-nitroethyl]-5-methoxyfuran
CID 101445871
2-[(1S)-1-(furan-2-yl)-2-nitroethyl]-5-methoxyfuran
CID 101445872
tert-butyl (2S)-2-(benzhydrylideneamino)-3-(furan-2-yl)-4-nitrobutanoate
CID 135027694
(3R)-3-(furan-2-yl)-4-methylpentanoate
CID 7258657
3-[1-(furan-2-yl)-2-nitroethyl]-2-methyl-1H-indole
CID 3137533
2-(2-nitropropyl)furan
CID 14929135
bis[furan-2-yl(nitro)methoxy]-oxoazanium
CID 87204286

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dinitrobutan-2-yl)furan?
The IUPAC name of 2-(1,3-dinitrobutan-2-yl)furan (CID 73035350) is 2-(1,3-dinitrobutan-2-yl)furan.
What is the SMILES notation for 2-(1,3-dinitrobutan-2-yl)furan?
The canonical SMILES for 2-(1,3-dinitrobutan-2-yl)furan is CC(C(C[N+](=O)[O-])c1ccco1)[N+](=O)[O-].
What is the InChIKey of 2-(1,3-dinitrobutan-2-yl)furan?
The InChIKey is ZPTGPJUVFJFEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5/c1-6(10(13)14)7(5-9(11)12)8-3-2-4-15-8/h2-4,6-7H,5H2,1H3.
What are the key properties of 2-(1,3-dinitrobutan-2-yl)furan?
2-(1,3-dinitrobutan-2-yl)furan has a molecular weight of 214.18 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dinitrobutan-2-yl)furan is sourced from PubChem (CID 73035350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).