N-[3-[3-(1-cyanocyclopropyl)phenyl]prop-2-enyl]acetamide

C15H16N2O — CID 169466203

IUPACN-[3-[3-(1-cyanocyclopropyl)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cccc(C2(C#N)CC2)c1
InChIInChI=1S/C15H16N2O/c1-12(18)17-9-3-5-13-4-2-6-14(10-13)15(11-16)7-8-15/h2-6,10H,7-9H2,1H3,(H,17,18)
InChIKeyNPUGMGABKANORV-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.39
Rot. Bonds4

About N-[3-[3-(1-cyanocyclopropyl)phenyl]prop-2-enyl]acetamide

N-[3-[3-(1-cyanocyclopropyl)phenyl]prop-2-enyl]acetamide (PubChem CID 169466203) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-[3-[3-(1-cyanocyclopropyl)phenyl]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(1-cyanocyclopropyl)phenyl]prop-2-enyl]acetamide
PubChem CID169466203
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-[3-[3-(1-cyanocyclopropyl)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cccc(C2(C#N)CC2)c1
InChIInChI=1S/C15H16N2O/c1-12(18)17-9-3-5-13-4-2-6-14(10-13)15(11-16)7-8-15/h2-6,10H,7-9H2,1H3,(H,17,18)
InChIKeyNPUGMGABKANORV-UHFFFAOYSA-N
XLogP2.39
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]acetamide
CID 169465046
N-[3-[3-(aminomethyl)phenyl]prop-2-enyl]acetamide
CID 169465154
N-[3-[3-(dimethylamino)phenyl]prop-2-enyl]acetamide
CID 169465474
N-[3-(3-trimethylsilylphenyl)prop-2-enyl]acetamide
CID 169465674
N-[3-(3-methylsulfonylphenyl)prop-2-enyl]acetamide
CID 169465681
N-[3-[3-(2-hydroxyethyl)phenyl]prop-2-enyl]acetamide
CID 169465370
N-[3-(3-isothiocyanatophenyl)prop-2-enyl]acetamide
CID 169465438
N-[3-[3-(carbamoylamino)phenyl]prop-2-enyl]acetamide
CID 169465819
1-(3-hydroxyphenyl)cyclopropane-1-carbonitrile
CID 66875026
N-[3-(2-cyano-4-pyridinyl)prop-2-enyl]acetamide
CID 169465102
tert-butyl N-[3-(3-acetamidoprop-1-enyl)phenyl]carbamate
CID 169466624
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1-cyanocyclopropyl)phenyl]prop-2-enyl]acetamide?
The IUPAC name of N-[3-[3-(1-cyanocyclopropyl)phenyl]prop-2-enyl]acetamide (CID 169466203) is N-[3-[3-(1-cyanocyclopropyl)phenyl]prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-[3-(1-cyanocyclopropyl)phenyl]prop-2-enyl]acetamide?
The canonical SMILES for N-[3-[3-(1-cyanocyclopropyl)phenyl]prop-2-enyl]acetamide is CC(=O)NCC=Cc1cccc(C2(C#N)CC2)c1.
What is the InChIKey of N-[3-[3-(1-cyanocyclopropyl)phenyl]prop-2-enyl]acetamide?
The InChIKey is NPUGMGABKANORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-12(18)17-9-3-5-13-4-2-6-14(10-13)15(11-16)7-8-15/h2-6,10H,7-9H2,1H3,(H,17,18).
What are the key properties of N-[3-[3-(1-cyanocyclopropyl)phenyl]prop-2-enyl]acetamide?
N-[3-[3-(1-cyanocyclopropyl)phenyl]prop-2-enyl]acetamide has a molecular weight of 240.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1-cyanocyclopropyl)phenyl]prop-2-enyl]acetamide is sourced from PubChem (CID 169466203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).