3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide

C10H12BrNO3 — CID 79031574

IUPAC3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide
SMILESC[C@H](CO)NC(=O)C=Cc1ccc(Br)o1
InChIInChI=1S/C10H12BrNO3/c1-7(6-13)12-10(14)5-3-8-2-4-9(11)15-8/h2-5,7,13H,6H2,1H3,(H,12,14)/t7-/m1/s1
InChIKeyIVINHIKEZLLHNZ-SSDOTTSWSA-N
MW274.11 g/mol
LogP1.55
Rot. Bonds4

About 3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide

3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide (PubChem CID 79031574) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide
PubChem CID79031574
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide
SMILESC[C@H](CO)NC(=O)C=Cc1ccc(Br)o1
InChIInChI=1S/C10H12BrNO3/c1-7(6-13)12-10(14)5-3-8-2-4-9(11)15-8/h2-5,7,13H,6H2,1H3,(H,12,14)/t7-/m1/s1
InChIKeyIVINHIKEZLLHNZ-SSDOTTSWSA-N
XLogP1.55
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(5-bromofuran-2-yl)-N-(1-hydroxy-4-methoxybutan-2-yl)prop-2-enamide
CID 114211390
(2S)-2-[3-(5-bromofuran-2-yl)prop-2-enoylamino]-N,4-dimethylpentanamide
CID 154775797
methyl 2-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]amino]-3-methylbutanoate
CID 43404147
(E)-3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]prop-2-enamide
CID 107861463
(E)-3-(5-bromofuran-2-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)prop-2-enamide
CID 103850883
3-(5-bromofuran-2-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide
CID 76923723
(E)-N-butan-2-yl-3-(5-iodofuran-2-yl)prop-2-enamide
CID 47097582
3-(5-bromofuran-2-yl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide
CID 76940066
(E)-3-(5-bromofuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 2319129
N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide
CID 79023633
(E)-N-(1-hydroxypropan-2-yl)-3-phenylprop-2-enamide
CID 6434086
methyl 3-(5-bromofuran-2-yl)prop-2-enoate
CID 66591461

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide?
The IUPAC name of 3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide (CID 79031574) is 3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide?
The canonical SMILES for 3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide is C[C@H](CO)NC(=O)C=Cc1ccc(Br)o1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide?
The InChIKey is IVINHIKEZLLHNZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-7(6-13)12-10(14)5-3-8-2-4-9(11)15-8/h2-5,7,13H,6H2,1H3,(H,12,14)/t7-/m1/s1.
What are the key properties of 3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide?
3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide has a molecular weight of 274.11 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide is sourced from PubChem (CID 79031574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).