N-[3-(1-benzofuran-5-yl)prop-2-enyl]acetamide

C13H13NO2 — CID 169465575

IUPACN-[3-(1-benzofuran-5-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc2occc2c1
InChIInChI=1S/C13H13NO2/c1-10(15)14-7-2-3-11-4-5-13-12(9-11)6-8-16-13/h2-6,8-9H,7H2,1H3,(H,14,15)
InChIKeyKTBOVKCPGBIPJH-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.58
Rot. Bonds3

About N-[3-(1-benzofuran-5-yl)prop-2-enyl]acetamide

N-[3-(1-benzofuran-5-yl)prop-2-enyl]acetamide (PubChem CID 169465575) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-[3-(1-benzofuran-5-yl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(1-benzofuran-5-yl)prop-2-enyl]acetamide
PubChem CID169465575
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC NameN-[3-(1-benzofuran-5-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc2occc2c1
InChIInChI=1S/C13H13NO2/c1-10(15)14-7-2-3-11-4-5-13-12(9-11)6-8-16-13/h2-6,8-9H,7H2,1H3,(H,14,15)
InChIKeyKTBOVKCPGBIPJH-UHFFFAOYSA-N
XLogP2.58
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-acetamidoprop-1-enyl)-2-oxochromene-3-carboxylic acid
CID 169466433
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
N-[3-(1H-indazol-5-yl)prop-2-enyl]acetamide
CID 169465579
5-hex-1-enyl-1-benzofuran
CID 57039277
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
N-[3-(3-oxo-2H-isoquinolin-6-yl)prop-2-enyl]acetamide
CID 169466218
benzyl N-[4-(1-benzofuran-5-yl)but-3-enyl]carbamate
CID 170494167
N-[3-(3-bromofuran-2-yl)prop-2-enyl]acetamide
CID 169466854
N-[3-(4-bromo-3-methylphenyl)prop-2-enyl]acetamide
CID 169466489
N-[3-(3-trimethylsilylphenyl)prop-2-enyl]acetamide
CID 169465674
N-[3-(2-fluoro-4-pyridinyl)prop-2-enyl]acetamide
CID 169464909
N-[3-(4-ethynylphenyl)prop-2-enyl]acetamide
CID 169464977

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzofuran-5-yl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(1-benzofuran-5-yl)prop-2-enyl]acetamide (CID 169465575) is N-[3-(1-benzofuran-5-yl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(1-benzofuran-5-yl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(1-benzofuran-5-yl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccc2occc2c1.
What is the InChIKey of N-[3-(1-benzofuran-5-yl)prop-2-enyl]acetamide?
The InChIKey is KTBOVKCPGBIPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-10(15)14-7-2-3-11-4-5-13-12(9-11)6-8-16-13/h2-6,8-9H,7H2,1H3,(H,14,15).
What are the key properties of N-[3-(1-benzofuran-5-yl)prop-2-enyl]acetamide?
N-[3-(1-benzofuran-5-yl)prop-2-enyl]acetamide has a molecular weight of 215.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzofuran-5-yl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).