2-(4-bromophenyl)-5-[(E)-2-nitroprop-1-enyl]furan

C13H10BrNO3 — CID 2193450

IUPAC2-(4-bromophenyl)-5-[(E)-2-nitroprop-1-enyl]furan
SMILESC/C(=C\c1ccc(-c2ccc(Br)cc2)o1)[N+](=O)[O-]
InChIInChI=1S/C13H10BrNO3/c1-9(15(16)17)8-12-6-7-13(18-12)10-2-4-11(14)5-3-10/h2-8H,1H3/b9-8+
InChIKeyACZSPAANHDWMBP-CMDGGOBGSA-N
MW308.13 g/mol
LogP4.35
Rot. Bonds3

About 2-(4-bromophenyl)-5-[(E)-2-nitroprop-1-enyl]furan

2-(4-bromophenyl)-5-[(E)-2-nitroprop-1-enyl]furan (PubChem CID 2193450) has the molecular formula C13H10BrNO3 and a molecular weight of 308.13 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-[(E)-2-nitroprop-1-enyl]furan.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-[(E)-2-nitroprop-1-enyl]furan
PubChem CID2193450
Molecular FormulaC13H10BrNO3
Molecular Weight308.13 g/mol
Exact Mass306.98
IUPAC Name2-(4-bromophenyl)-5-[(E)-2-nitroprop-1-enyl]furan
SMILESC/C(=C\c1ccc(-c2ccc(Br)cc2)o1)[N+](=O)[O-]
InChIInChI=1S/C13H10BrNO3/c1-9(15(16)17)8-12-6-7-13(18-12)10-2-4-11(14)5-3-10/h2-8H,1H3/b9-8+
InChIKeyACZSPAANHDWMBP-CMDGGOBGSA-N
XLogP4.35
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.13
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

ethyl 4-[5-[(Z)-2-nitroprop-1-enyl]furan-2-yl]benzoate
CID 685583
3-[5-[(E)-2-nitroprop-1-enyl]furan-2-yl]pyridine
CID 55016356
2-[3,5-bis(trifluoromethyl)phenyl]-5-[(E)-2-nitroprop-1-enyl]furan
CID 6085872
2-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(Z)-2-nitroprop-1-enyl]furan
CID 70653843
ethyl (E)-3-[5-(4-bromophenyl)furan-2-yl]-2-methylprop-2-enoate
CID 104503771
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577
3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-propylprop-2-en-1-amine
CID 79341535
3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 2866324
2-(2-bromo-2-nitroethenyl)-5-(3,5-dimethylphenyl)furan
CID 71427197
3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79344064
(E)-3-[5-(4-bromophenyl)furan-2-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate
CID 8706233
4-bromo-2-[(Z)-2-nitroprop-1-enyl]phenol
CID 96838868

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-[(E)-2-nitroprop-1-enyl]furan?
The IUPAC name of 2-(4-bromophenyl)-5-[(E)-2-nitroprop-1-enyl]furan (CID 2193450) is 2-(4-bromophenyl)-5-[(E)-2-nitroprop-1-enyl]furan.
What is the SMILES notation for 2-(4-bromophenyl)-5-[(E)-2-nitroprop-1-enyl]furan?
The canonical SMILES for 2-(4-bromophenyl)-5-[(E)-2-nitroprop-1-enyl]furan is C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)[N+](=O)[O-].
What is the InChIKey of 2-(4-bromophenyl)-5-[(E)-2-nitroprop-1-enyl]furan?
The InChIKey is ACZSPAANHDWMBP-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H10BrNO3/c1-9(15(16)17)8-12-6-7-13(18-12)10-2-4-11(14)5-3-10/h2-8H,1H3/b9-8+.
What are the key properties of 2-(4-bromophenyl)-5-[(E)-2-nitroprop-1-enyl]furan?
2-(4-bromophenyl)-5-[(E)-2-nitroprop-1-enyl]furan has a molecular weight of 308.13 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-[(E)-2-nitroprop-1-enyl]furan is sourced from PubChem (CID 2193450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).