1-(2-cyanoethenyl)cyclopropane-1-carbonitrile

C7H6N2 — CID 66598473

IUPAC1-(2-cyanoethenyl)cyclopropane-1-carbonitrile
SMILESN#CC=CC1(C#N)CC1
InChIInChI=1S/C7H6N2/c8-5-1-2-7(6-9)3-4-7/h1-2H,3-4H2
InChIKeyJTOBCGIZPNBVLD-UHFFFAOYSA-N
MW118.14 g/mol
LogP1.37
Rot. Bonds1

About 1-(2-cyanoethenyl)cyclopropane-1-carbonitrile

1-(2-cyanoethenyl)cyclopropane-1-carbonitrile (PubChem CID 66598473) has the molecular formula C7H6N2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 1-(2-cyanoethenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-cyanoethenyl)cyclopropane-1-carbonitrile
PubChem CID66598473
Molecular FormulaC7H6N2
Molecular Weight118.14 g/mol
Exact Mass118.05
IUPAC Name1-(2-cyanoethenyl)cyclopropane-1-carbonitrile
SMILESN#CC=CC1(C#N)CC1
InChIInChI=1S/C7H6N2/c8-5-1-2-7(6-9)3-4-7/h1-2H,3-4H2
InChIKeyJTOBCGIZPNBVLD-UHFFFAOYSA-N
XLogP1.37
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-(methylamino)ethenyl]cyclopropane-1-carbonitrile
CID 154964910
3-(4-methyloxan-4-yl)prop-2-enenitrile
CID 145219646
1-[2-(4-chlorophenyl)ethenyl]cyclohexane-1-carbonitrile
CID 175043658
1-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]cycloheptane-1-carbonitrile
CID 101262100
2-methyl-4-[(E)-prop-1-enyl]oxane-4-carbonitrile
CID 142565875
3-phosphanylprop-2-enenitrile
CID 86203700
(E)-(413C)but-2-enenitrile
CID 10986149
(1-cyanocyclopropyl)methanesulfonamide
CID 75450915
1-hydroxycyclopropane-1-carbonitrile
CID 12609619
(E)-3-[(E)-2-cyanoethenoxy]prop-2-enenitrile
CID 20510390
1-(fluoromethyl)cyclopropane-1-carbonitrile;1-(fluoromethyl)-N'-hydroxycyclopropane-1-carboximidamide
CID 172950016
3-cyclobutylprop-2-enenitrile
CID 67335602

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(2-cyanoethenyl)cyclopropane-1-carbonitrile (CID 66598473) is 1-(2-cyanoethenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(2-cyanoethenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(2-cyanoethenyl)cyclopropane-1-carbonitrile is N#CC=CC1(C#N)CC1.
What is the InChIKey of 1-(2-cyanoethenyl)cyclopropane-1-carbonitrile?
The InChIKey is JTOBCGIZPNBVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2/c8-5-1-2-7(6-9)3-4-7/h1-2H,3-4H2.
What are the key properties of 1-(2-cyanoethenyl)cyclopropane-1-carbonitrile?
1-(2-cyanoethenyl)cyclopropane-1-carbonitrile has a molecular weight of 118.14 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 66598473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).