N-[2-(3-cyanoprop-1-ynyl)phenyl]acetamide

C12H10N2O — CID 170475269

IUPACN-[2-(3-cyanoprop-1-ynyl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1C#CCC#N
InChIInChI=1S/C12H10N2O/c1-10(15)14-12-8-3-2-6-11(12)7-4-5-9-13/h2-3,6,8H,5H2,1H3,(H,14,15)
InChIKeyGUDAILHOFLPJCS-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.91
Rot. Bonds1

About N-[2-(3-cyanoprop-1-ynyl)phenyl]acetamide

N-[2-(3-cyanoprop-1-ynyl)phenyl]acetamide (PubChem CID 170475269) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is N-[2-(3-cyanoprop-1-ynyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-cyanoprop-1-ynyl)phenyl]acetamide
PubChem CID170475269
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC NameN-[2-(3-cyanoprop-1-ynyl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1C#CCC#N
InChIInChI=1S/C12H10N2O/c1-10(15)14-12-8-3-2-6-11(12)7-4-5-9-13/h2-3,6,8H,5H2,1H3,(H,14,15)
InChIKeyGUDAILHOFLPJCS-UHFFFAOYSA-N
XLogP1.91
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.91
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

[2-(3-cyanoprop-1-ynyl)phenyl]thiourea
CID 170475148
N-[2-[3-(diethylamino)prop-1-ynyl]phenyl]acetamide
CID 11436489
N-(2-oct-1-ynylphenyl)acetamide
CID 11658791
2-(3-cyanoprop-1-ynyl)benzoic acid
CID 91875011
N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60800142
4-[2-(2-cyanoacetyl)phenyl]but-3-ynenitrile
CID 170475485
[2-(3-hydroxyprop-1-ynyl)phenyl]urea
CID 60803594
2-acetamido-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 54923051
4-(2-aminophenyl)but-3-ynenitrile
CID 91875015
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 60803097
N-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide
CID 60800145
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475991

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyanoprop-1-ynyl)phenyl]acetamide?
The IUPAC name of N-[2-(3-cyanoprop-1-ynyl)phenyl]acetamide (CID 170475269) is N-[2-(3-cyanoprop-1-ynyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(3-cyanoprop-1-ynyl)phenyl]acetamide?
The canonical SMILES for N-[2-(3-cyanoprop-1-ynyl)phenyl]acetamide is CC(=O)Nc1ccccc1C#CCC#N.
What is the InChIKey of N-[2-(3-cyanoprop-1-ynyl)phenyl]acetamide?
The InChIKey is GUDAILHOFLPJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-10(15)14-12-8-3-2-6-11(12)7-4-5-9-13/h2-3,6,8H,5H2,1H3,(H,14,15).
What are the key properties of N-[2-(3-cyanoprop-1-ynyl)phenyl]acetamide?
N-[2-(3-cyanoprop-1-ynyl)phenyl]acetamide has a molecular weight of 198.22 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyanoprop-1-ynyl)phenyl]acetamide is sourced from PubChem (CID 170475269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).