N-[3-(3-bromofuran-2-yl)prop-2-enyl]acetamide

C9H10BrNO2 — CID 169466854

IUPACN-[3-(3-bromofuran-2-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1occc1Br
InChIInChI=1S/C9H10BrNO2/c1-7(12)11-5-2-3-9-8(10)4-6-13-9/h2-4,6H,5H2,1H3,(H,11,12)
InChIKeyUBQCKCWTMLZPSG-UHFFFAOYSA-N
MW244.09 g/mol
LogP2.19
Rot. Bonds3

About N-[3-(3-bromofuran-2-yl)prop-2-enyl]acetamide

N-[3-(3-bromofuran-2-yl)prop-2-enyl]acetamide (PubChem CID 169466854) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is N-[3-(3-bromofuran-2-yl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-bromofuran-2-yl)prop-2-enyl]acetamide
PubChem CID169466854
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC NameN-[3-(3-bromofuran-2-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1occc1Br
InChIInChI=1S/C9H10BrNO2/c1-7(12)11-5-2-3-9-8(10)4-6-13-9/h2-4,6H,5H2,1H3,(H,11,12)
InChIKeyUBQCKCWTMLZPSG-UHFFFAOYSA-N
XLogP2.19
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(3-bromofuran-2-yl)-N-propylprop-2-en-1-amine
CID 106889700
(E)-3-(3-bromofuran-2-yl)-N-propan-2-ylprop-2-en-1-amine
CID 106889701
(E)-3-(3-bromofuran-2-yl)prop-2-en-1-ol
CID 106889667
methyl (E)-3-(3-bromofuran-2-yl)prop-2-enoate
CID 12066521
N-[3-(4-bromo-3-methylphenyl)prop-2-enyl]acetamide
CID 169466489
N-[3-(1-benzofuran-5-yl)prop-2-enyl]acetamide
CID 169465575
(E)-4-(3-bromofuran-2-yl)-3-methylbut-3-en-2-one
CID 106889481
N-[3-(5-bromothiophen-2-yl)prop-2-enyl]acetamide
CID 169466781
ethyl 3-(3-bromofuran-2-yl)prop-2-enoate
CID 105422223
N-[3-(2-bromo-4-chlorophenyl)prop-2-enyl]acetamide
CID 169466504
N-[3-(2-amino-4-bromophenyl)prop-2-enyl]acetamide
CID 169466523
ethyl (E)-3-(3-bromofuran-2-yl)-2-methylprop-2-enoate
CID 106885924

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromofuran-2-yl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(3-bromofuran-2-yl)prop-2-enyl]acetamide (CID 169466854) is N-[3-(3-bromofuran-2-yl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(3-bromofuran-2-yl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(3-bromofuran-2-yl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1occc1Br.
What is the InChIKey of N-[3-(3-bromofuran-2-yl)prop-2-enyl]acetamide?
The InChIKey is UBQCKCWTMLZPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-7(12)11-5-2-3-9-8(10)4-6-13-9/h2-4,6H,5H2,1H3,(H,11,12).
What are the key properties of N-[3-(3-bromofuran-2-yl)prop-2-enyl]acetamide?
N-[3-(3-bromofuran-2-yl)prop-2-enyl]acetamide has a molecular weight of 244.09 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bromofuran-2-yl)prop-2-enyl]acetamide is sourced from PubChem (CID 169466854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).