3-(5-bromofuran-2-yl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide

C11H14BrNO3 — CID 76940066

IUPAC3-(5-bromofuran-2-yl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide
SMILESCC(O)CN(C)C(=O)C=Cc1ccc(Br)o1
InChIInChI=1S/C11H14BrNO3/c1-8(14)7-13(2)11(15)6-4-9-3-5-10(12)16-9/h3-6,8,14H,7H2,1-2H3
InChIKeyOBUCRARFBSRDFY-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.89
Rot. Bonds4

About 3-(5-bromofuran-2-yl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide

3-(5-bromofuran-2-yl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide (PubChem CID 76940066) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide
PubChem CID76940066
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name3-(5-bromofuran-2-yl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide
SMILESCC(O)CN(C)C(=O)C=Cc1ccc(Br)o1
InChIInChI=1S/C11H14BrNO3/c1-8(14)7-13(2)11(15)6-4-9-3-5-10(12)16-9/h3-6,8,14H,7H2,1-2H3
InChIKeyOBUCRARFBSRDFY-UHFFFAOYSA-N
XLogP1.89
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]-butan-2-ylamino]acetic acid
CID 60830109
N-(2-hydroxypropyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 76940023
3-(5-bromofuran-2-yl)-N,N-diethylprop-2-enamide
CID 76872023
methyl 2-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]-propan-2-ylamino]acetate
CID 54942022
3-(5-bromofuran-2-yl)-N-[(2,3-dichlorophenyl)methyl]-N-methylprop-2-enamide
CID 47093669
3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide
CID 79031574
3-(5-bromofuran-2-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylprop-2-enamide
CID 91942616
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
CID 7868742
[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
CID 7868743
(E)-N-(3-hydroxybutyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 115673344
methyl 3-(5-bromofuran-2-yl)prop-2-enoate
CID 66591461
(E)-N-(1,3-benzothiazol-2-yl)-3-(5-bromofuran-2-yl)-N-(2-methylpropyl)prop-2-enamide
CID 2123810

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide?
The IUPAC name of 3-(5-bromofuran-2-yl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide (CID 76940066) is 3-(5-bromofuran-2-yl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide?
The canonical SMILES for 3-(5-bromofuran-2-yl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide is CC(O)CN(C)C(=O)C=Cc1ccc(Br)o1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide?
The InChIKey is OBUCRARFBSRDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-8(14)7-13(2)11(15)6-4-9-3-5-10(12)16-9/h3-6,8,14H,7H2,1-2H3.
What are the key properties of 3-(5-bromofuran-2-yl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide?
3-(5-bromofuran-2-yl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide has a molecular weight of 288.14 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide is sourced from PubChem (CID 76940066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).