N-[3-[2-(cyanomethyl)phenyl]prop-2-enyl]acetamide

C13H14N2O — CID 169466550

IUPACN-[3-[2-(cyanomethyl)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccccc1CC#N
InChIInChI=1S/C13H14N2O/c1-11(16)15-10-4-7-12-5-2-3-6-13(12)8-9-14/h2-7H,8,10H2,1H3,(H,15,16)
InChIKeyFQOWYXOFGDOHPM-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.90
Rot. Bonds4

About N-[3-[2-(cyanomethyl)phenyl]prop-2-enyl]acetamide

N-[3-[2-(cyanomethyl)phenyl]prop-2-enyl]acetamide (PubChem CID 169466550) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is N-[3-[2-(cyanomethyl)phenyl]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(cyanomethyl)phenyl]prop-2-enyl]acetamide
PubChem CID169466550
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC NameN-[3-[2-(cyanomethyl)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccccc1CC#N
InChIInChI=1S/C13H14N2O/c1-11(16)15-10-4-7-12-5-2-3-6-13(12)8-9-14/h2-7H,8,10H2,1H3,(H,15,16)
InChIKeyFQOWYXOFGDOHPM-UHFFFAOYSA-N
XLogP1.90
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

S-[3-[2-(cyanomethyl)phenyl]prop-2-enyl] ethanethioate
CID 169458306
N-(3-naphthalen-1-ylprop-2-enyl)acetamide
CID 169465612
N-[3-(2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465048
N-[3-(2-isocyanatophenyl)prop-2-enyl]acetamide
CID 169465544
N-[3-(2,3-dichlorophenyl)prop-2-enyl]acetamide
CID 169464992
3-(3-acetamidoprop-1-enyl)-2-methylbenzoic acid
CID 169465735
N-[3-(2-ethoxyphenyl)prop-2-enyl]acetamide
CID 169465357
N-[3-(2-amino-3-methylphenyl)prop-2-enyl]acetamide
CID 169465158
2-[2-(3-oxoprop-1-enyl)phenyl]acetonitrile
CID 54059899
2-[2-(4-acetamidobut-1-enyl)phenyl]acetic acid
CID 170488957
N-[3-(3-fluoro-2-hydroxyphenyl)prop-2-enyl]acetamide
CID 169465029
N-[3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enyl]acetamide
CID 169465620

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(cyanomethyl)phenyl]prop-2-enyl]acetamide?
The IUPAC name of N-[3-[2-(cyanomethyl)phenyl]prop-2-enyl]acetamide (CID 169466550) is N-[3-[2-(cyanomethyl)phenyl]prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-[2-(cyanomethyl)phenyl]prop-2-enyl]acetamide?
The canonical SMILES for N-[3-[2-(cyanomethyl)phenyl]prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccccc1CC#N.
What is the InChIKey of N-[3-[2-(cyanomethyl)phenyl]prop-2-enyl]acetamide?
The InChIKey is FQOWYXOFGDOHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-11(16)15-10-4-7-12-5-2-3-6-13(12)8-9-14/h2-7H,8,10H2,1H3,(H,15,16).
What are the key properties of N-[3-[2-(cyanomethyl)phenyl]prop-2-enyl]acetamide?
N-[3-[2-(cyanomethyl)phenyl]prop-2-enyl]acetamide has a molecular weight of 214.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(cyanomethyl)phenyl]prop-2-enyl]acetamide is sourced from PubChem (CID 169466550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).