3-(5-bromofuran-2-yl)-N,N-diethylprop-2-enamide

C11H14BrNO2 — CID 76872023

IUPAC3-(5-bromofuran-2-yl)-N,N-diethylprop-2-enamide
SMILESCCN(CC)C(=O)C=Cc1ccc(Br)o1
InChIInChI=1S/C11H14BrNO2/c1-3-13(4-2)11(14)8-6-9-5-7-10(12)15-9/h5-8H,3-4H2,1-2H3
InChIKeyJBTRXYKXJMBOIZ-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.92
Rot. Bonds4

About 3-(5-bromofuran-2-yl)-N,N-diethylprop-2-enamide

3-(5-bromofuran-2-yl)-N,N-diethylprop-2-enamide (PubChem CID 76872023) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-N,N-diethylprop-2-enamide.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-N,N-diethylprop-2-enamide
PubChem CID76872023
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name3-(5-bromofuran-2-yl)-N,N-diethylprop-2-enamide
SMILESCCN(CC)C(=O)C=Cc1ccc(Br)o1
InChIInChI=1S/C11H14BrNO2/c1-3-13(4-2)11(14)8-6-9-5-7-10(12)15-9/h5-8H,3-4H2,1-2H3
InChIKeyJBTRXYKXJMBOIZ-UHFFFAOYSA-N
XLogP2.92
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]-ethylamino]acetate
CID 54900830
3-(5-bromofuran-2-yl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide
CID 76940066
(E)-3-(5-bromofuran-2-yl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)prop-2-enamide
CID 113351113
2-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]-butan-2-ylamino]acetic acid
CID 60830109
2-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]-(cyclopropylmethyl)amino]acetic acid
CID 43655426
(E)-3-(5-bromofuran-2-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide
CID 31974354
methyl 3-(5-bromofuran-2-yl)prop-2-enoate
CID 66591461
methyl 2-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]-propan-2-ylamino]acetate
CID 54942022
3-(5-methylfuran-2-yl)-N,N-dipropylprop-2-enamide
CID 4681801
3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide
CID 79031574
(2Z,4E)-5-(5-bromofuran-2-yl)-3-methylpenta-2,4-dienoic acid
CID 44631145
3-(5-bromofuran-2-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylprop-2-enamide
CID 91942616

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-N,N-diethylprop-2-enamide?
The IUPAC name of 3-(5-bromofuran-2-yl)-N,N-diethylprop-2-enamide (CID 76872023) is 3-(5-bromofuran-2-yl)-N,N-diethylprop-2-enamide.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-N,N-diethylprop-2-enamide?
The canonical SMILES for 3-(5-bromofuran-2-yl)-N,N-diethylprop-2-enamide is CCN(CC)C(=O)C=Cc1ccc(Br)o1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-N,N-diethylprop-2-enamide?
The InChIKey is JBTRXYKXJMBOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-3-13(4-2)11(14)8-6-9-5-7-10(12)15-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 3-(5-bromofuran-2-yl)-N,N-diethylprop-2-enamide?
3-(5-bromofuran-2-yl)-N,N-diethylprop-2-enamide has a molecular weight of 272.14 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-N,N-diethylprop-2-enamide is sourced from PubChem (CID 76872023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).