(2-amino-3-bromo-2H-furan-5-ylidene)methanone

C5H4BrNO2 — CID 87951823

IUPAC(2-amino-3-bromo-2H-furan-5-ylidene)methanone
SMILESNC1OC(=C=O)C=C1Br
InChIInChI=1S/C5H4BrNO2/c6-4-1-3(2-8)9-5(4)7/h1,5H,7H2
InChIKeyGMUGQPCYAPVCDZ-UHFFFAOYSA-N
MW190.00 g/mol
LogP0.30
Rot. Bonds

About (2-amino-3-bromo-2H-furan-5-ylidene)methanone

(2-amino-3-bromo-2H-furan-5-ylidene)methanone (PubChem CID 87951823) has the molecular formula C5H4BrNO2 and a molecular weight of 190.00 g/mol. Its IUPAC name is (2-amino-3-bromo-2H-furan-5-ylidene)methanone.

Molecular Properties

Compound Name(2-amino-3-bromo-2H-furan-5-ylidene)methanone
PubChem CID87951823
Molecular FormulaC5H4BrNO2
Molecular Weight190.00 g/mol
Exact Mass188.94
IUPAC Name(2-amino-3-bromo-2H-furan-5-ylidene)methanone
SMILESNC1OC(=C=O)C=C1Br
InChIInChI=1S/C5H4BrNO2/c6-4-1-3(2-8)9-5(4)7/h1,5H,7H2
InChIKeyGMUGQPCYAPVCDZ-UHFFFAOYSA-N
XLogP0.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.00
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-bromo-2H-furan-5-ylidene)methanone?
The IUPAC name of (2-amino-3-bromo-2H-furan-5-ylidene)methanone (CID 87951823) is (2-amino-3-bromo-2H-furan-5-ylidene)methanone.
What is the SMILES notation for (2-amino-3-bromo-2H-furan-5-ylidene)methanone?
The canonical SMILES for (2-amino-3-bromo-2H-furan-5-ylidene)methanone is NC1OC(=C=O)C=C1Br.
What is the InChIKey of (2-amino-3-bromo-2H-furan-5-ylidene)methanone?
The InChIKey is GMUGQPCYAPVCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrNO2/c6-4-1-3(2-8)9-5(4)7/h1,5H,7H2.
What are the key properties of (2-amino-3-bromo-2H-furan-5-ylidene)methanone?
(2-amino-3-bromo-2H-furan-5-ylidene)methanone has a molecular weight of 190.00 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-bromo-2H-furan-5-ylidene)methanone is sourced from PubChem (CID 87951823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).