N-(4-cyanophenyl)prop-2-ynamide

C10H6N2O — CID 131045774

IUPACN-(4-cyanophenyl)prop-2-ynamide
SMILESC#CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C10H6N2O/c1-2-10(13)12-9-5-3-8(7-11)4-6-9/h1,3-6H,(H,12,13)
InChIKeyYJMAXNDOOUQDOS-UHFFFAOYSA-N
MW170.17 g/mol
LogP1.13
Rot. Bonds1

About N-(4-cyanophenyl)prop-2-ynamide

N-(4-cyanophenyl)prop-2-ynamide (PubChem CID 131045774) has the molecular formula C10H6N2O and a molecular weight of 170.17 g/mol. Its IUPAC name is N-(4-cyanophenyl)prop-2-ynamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)prop-2-ynamide
PubChem CID131045774
Molecular FormulaC10H6N2O
Molecular Weight170.17 g/mol
Exact Mass170.05
IUPAC NameN-(4-cyanophenyl)prop-2-ynamide
SMILESC#CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C10H6N2O/c1-2-10(13)12-9-5-3-8(7-11)4-6-9/h1,3-6H,(H,12,13)
InChIKeyYJMAXNDOOUQDOS-UHFFFAOYSA-N
XLogP1.13
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)prop-2-ynamide
CID 43134274
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(4-cyanophenyl)-2,2-dimethylpropanamide
CID 4927441
N-(4-cyanophenyl)-2-hydroxyprop-2-enamide
CID 141009909
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
N'-(2-chlorophenyl)-N-(4-cyanophenyl)oxamide
CID 108500274
N'-tert-butyl-N-(4-cyanophenyl)oxamide
CID 108506832
N-(4-cyanophenyl)piperidine-1-carboxamide
CID 89462027
trans-(1R,2R)-1-N,2-N-bis(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 124628395
N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide
CID 108501554
N-(4-cyanophenyl)pyrrole-1-carboxamide
CID 57233702
1-(4-cyanophenyl)-3-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)urea
CID 16662014

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)prop-2-ynamide?
The IUPAC name of N-(4-cyanophenyl)prop-2-ynamide (CID 131045774) is N-(4-cyanophenyl)prop-2-ynamide.
What is the SMILES notation for N-(4-cyanophenyl)prop-2-ynamide?
The canonical SMILES for N-(4-cyanophenyl)prop-2-ynamide is C#CC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)prop-2-ynamide?
The InChIKey is YJMAXNDOOUQDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O/c1-2-10(13)12-9-5-3-8(7-11)4-6-9/h1,3-6H,(H,12,13).
What are the key properties of N-(4-cyanophenyl)prop-2-ynamide?
N-(4-cyanophenyl)prop-2-ynamide has a molecular weight of 170.17 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)prop-2-ynamide is sourced from PubChem (CID 131045774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).