N-[(E)-but-2-enyl]-3-phenylprop-2-ynamide

C13H13NO — CID 11805711

IUPACN-[(E)-but-2-enyl]-3-phenylprop-2-ynamide
SMILESC/C=C/CNC(=O)C#Cc1ccccc1
InChIInChI=1S/C13H13NO/c1-2-3-11-14-13(15)10-9-12-7-5-4-6-8-12/h2-8H,11H2,1H3,(H,14,15)/b3-2+
InChIKeyRQLZYHPZIPDUJC-NSCUHMNNSA-N
MW199.25 g/mol
LogP1.73
Rot. Bonds2

About N-[(E)-but-2-enyl]-3-phenylprop-2-ynamide

N-[(E)-but-2-enyl]-3-phenylprop-2-ynamide (PubChem CID 11805711) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-3-phenylprop-2-ynamide
PubChem CID11805711
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC NameN-[(E)-but-2-enyl]-3-phenylprop-2-ynamide
SMILESC/C=C/CNC(=O)C#Cc1ccccc1
InChIInChI=1S/C13H13NO/c1-2-3-11-14-13(15)10-9-12-7-5-4-6-8-12/h2-8H,11H2,1H3,(H,14,15)/b3-2+
InChIKeyRQLZYHPZIPDUJC-NSCUHMNNSA-N
XLogP1.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

carbon monoxide;cobalt;3-phenyl-N-prop-2-enylprop-2-ynamide
CID 11733398
methyl 2-(3-phenylprop-2-ynoylamino)acetate
CID 17144567
N-butyl-3-phenylprop-2-ynamide
CID 141247412
N-phenacyl-3-phenylprop-2-ynamide
CID 155676279
N-(2-hydroxypropyl)-3-phenylprop-2-ynamide
CID 43501186
N-hexyl-3-phenylprop-2-ynamide
CID 155936824
N-(2-hydroxy-2-phenylpropyl)-3-phenylprop-2-ynamide
CID 111825050
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylprop-2-ynamide
CID 115362542
N-(2-amino-3-hydroxybutyl)-3-phenylprop-2-ynamide
CID 64538951
N-[(4-hydroxyoxan-4-yl)methyl]-3-phenylprop-2-ynamide
CID 79488152
N-[(4-hydroxythian-4-yl)methyl]-3-phenylprop-2-ynamide
CID 111595874
1,7-diphenylhepta-1,6-diyne-3,5-dione
CID 118147501

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-3-phenylprop-2-ynamide?
The IUPAC name of N-[(E)-but-2-enyl]-3-phenylprop-2-ynamide (CID 11805711) is N-[(E)-but-2-enyl]-3-phenylprop-2-ynamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-3-phenylprop-2-ynamide?
The canonical SMILES for N-[(E)-but-2-enyl]-3-phenylprop-2-ynamide is C/C=C/CNC(=O)C#Cc1ccccc1.
What is the InChIKey of N-[(E)-but-2-enyl]-3-phenylprop-2-ynamide?
The InChIKey is RQLZYHPZIPDUJC-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H13NO/c1-2-3-11-14-13(15)10-9-12-7-5-4-6-8-12/h2-8H,11H2,1H3,(H,14,15)/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]-3-phenylprop-2-ynamide?
N-[(E)-but-2-enyl]-3-phenylprop-2-ynamide has a molecular weight of 199.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-3-phenylprop-2-ynamide is sourced from PubChem (CID 11805711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).