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

C13H13NO2 — CID 169465577

IUPACN-[3-(1-benzofuran-3-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1coc2ccccc12
InChIInChI=1S/C13H13NO2/c1-10(15)14-8-4-5-11-9-16-13-7-3-2-6-12(11)13/h2-7,9H,8H2,1H3,(H,14,15)
InChIKeyOLTQCOKOHGQJQX-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.58
Rot. Bonds3

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

N-[3-(1-benzofuran-3-yl)prop-2-enyl]acetamide (PubChem CID 169465577) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-[3-(1-benzofuran-3-yl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(1-benzofuran-3-yl)prop-2-enyl]acetamide
PubChem CID169465577
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC NameN-[3-(1-benzofuran-3-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1coc2ccccc12
InChIInChI=1S/C13H13NO2/c1-10(15)14-8-4-5-11-9-16-13-7-3-2-6-12(11)13/h2-7,9H,8H2,1H3,(H,14,15)
InChIKeyOLTQCOKOHGQJQX-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

4-(1-benzofuran-3-yl)but-3-enoic acid
CID 170483686
N-(3-naphthalen-1-ylprop-2-enyl)acetamide
CID 169465612
3-(1-benzofuran-3-yl)prop-2-en-1-ol
CID 169453429
N-[3-(2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465048
ethyl 3-(1-benzofuran-3-yl)prop-2-enoate
CID 169480442
N-[3-(2,3-dichlorophenyl)prop-2-enyl]acetamide
CID 169464992
N-(4-dibenzofuran-4-ylbut-3-enyl)acetamide
CID 170489640
N-[3-(2-ethoxyphenyl)prop-2-enyl]acetamide
CID 169465357
N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enyl]acetamide
CID 169466362
N-(3-quinolin-5-ylprop-2-enyl)acetamide
CID 169465651
(E)-N-ethyl-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108794102
N-[3-(2-amino-3-methylphenyl)prop-2-enyl]acetamide
CID 169465158

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzofuran-3-yl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(1-benzofuran-3-yl)prop-2-enyl]acetamide (CID 169465577) is N-[3-(1-benzofuran-3-yl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(1-benzofuran-3-yl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(1-benzofuran-3-yl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1coc2ccccc12.
What is the InChIKey of N-[3-(1-benzofuran-3-yl)prop-2-enyl]acetamide?
The InChIKey is OLTQCOKOHGQJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-10(15)14-8-4-5-11-9-16-13-7-3-2-6-12(11)13/h2-7,9H,8H2,1H3,(H,14,15).
What are the key properties of N-[3-(1-benzofuran-3-yl)prop-2-enyl]acetamide?
N-[3-(1-benzofuran-3-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-3-yl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).