2-nitro-5-[(Z)-2-nitroethenyl]furan

C6H4N2O5 — CID 23273708

IUPAC2-nitro-5-[(Z)-2-nitroethenyl]furan
SMILESO=[N+]([O-])/C=C\c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C6H4N2O5/c9-7(10)4-3-5-1-2-6(13-5)8(11)12/h1-4H/b4-3-
InChIKeyNMZDNQIJZAERIO-ARJAWSKDSA-N
MW184.11 g/mol
LogP1.44
Rot. Bonds3

About 2-nitro-5-[(Z)-2-nitroethenyl]furan

2-nitro-5-[(Z)-2-nitroethenyl]furan (PubChem CID 23273708) has the molecular formula C6H4N2O5 and a molecular weight of 184.11 g/mol. Its IUPAC name is 2-nitro-5-[(Z)-2-nitroethenyl]furan.

Molecular Properties

Compound Name2-nitro-5-[(Z)-2-nitroethenyl]furan
PubChem CID23273708
Molecular FormulaC6H4N2O5
Molecular Weight184.11 g/mol
Exact Mass184.01
IUPAC Name2-nitro-5-[(Z)-2-nitroethenyl]furan
SMILESO=[N+]([O-])/C=C\c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C6H4N2O5/c9-7(10)4-3-5-1-2-6(13-5)8(11)12/h1-4H/b4-3-
InChIKeyNMZDNQIJZAERIO-ARJAWSKDSA-N
XLogP1.44
TPSA99.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.11
LogP ≤ 51.44
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-[(E)-2-chloroethenyl]-5-nitrofuran
CID 127261425
2-[(Z)-2-bromoethenyl]-5-nitrofuran
CID 6081936
2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan
CID 91873040
4-(5-nitrofuran-2-yl)but-3-en-1-amine
CID 76997154
2-methyl-5-(2-nitroethenyl)furan
CID 538006
3-(5-nitrofuran-2-yl)prop-2-enoate
CID 3423261
azane;5-nitrofuran-2-carbaldehyde
CID 174516774
4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine
CID 131848791
1-[2-(5-nitrofuran-2-yl)ethenyl]piperidine
CID 71404922
4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoic acid
CID 6440938
5-[2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-amine
CID 86023507
5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]thiophen-2-amine
CID 102309944

Frequently Asked Questions

What is the IUPAC name of 2-nitro-5-[(Z)-2-nitroethenyl]furan?
The IUPAC name of 2-nitro-5-[(Z)-2-nitroethenyl]furan (CID 23273708) is 2-nitro-5-[(Z)-2-nitroethenyl]furan.
What is the SMILES notation for 2-nitro-5-[(Z)-2-nitroethenyl]furan?
The canonical SMILES for 2-nitro-5-[(Z)-2-nitroethenyl]furan is O=[N+]([O-])/C=C\c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-nitro-5-[(Z)-2-nitroethenyl]furan?
The InChIKey is NMZDNQIJZAERIO-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H4N2O5/c9-7(10)4-3-5-1-2-6(13-5)8(11)12/h1-4H/b4-3-.
What are the key properties of 2-nitro-5-[(Z)-2-nitroethenyl]furan?
2-nitro-5-[(Z)-2-nitroethenyl]furan has a molecular weight of 184.11 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-5-[(Z)-2-nitroethenyl]furan is sourced from PubChem (CID 23273708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).