3-cyclopropyl-2-[6-(1-ethoxyethenyl)-3-pyridinyl]propanenitrile

C15H18N2O — CID 86716183

IUPAC3-cyclopropyl-2-[6-(1-ethoxyethenyl)-3-pyridinyl]propanenitrile
SMILESC=C(OCC)c1ccc(C(C#N)CC2CC2)cn1
InChIInChI=1S/C15H18N2O/c1-3-18-11(2)15-7-6-13(10-17-15)14(9-16)8-12-4-5-12/h6-7,10,12,14H,2-5,8H2,1H3
InChIKeyFTVYPRQTQQRHJB-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.50
Rot. Bonds6

About 3-cyclopropyl-2-[6-(1-ethoxyethenyl)-3-pyridinyl]propanenitrile

3-cyclopropyl-2-[6-(1-ethoxyethenyl)-3-pyridinyl]propanenitrile (PubChem CID 86716183) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-cyclopropyl-2-[6-(1-ethoxyethenyl)-3-pyridinyl]propanenitrile.

Molecular Properties

Compound Name3-cyclopropyl-2-[6-(1-ethoxyethenyl)-3-pyridinyl]propanenitrile
PubChem CID86716183
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-cyclopropyl-2-[6-(1-ethoxyethenyl)-3-pyridinyl]propanenitrile
SMILESC=C(OCC)c1ccc(C(C#N)CC2CC2)cn1
InChIInChI=1S/C15H18N2O/c1-3-18-11(2)15-7-6-13(10-17-15)14(9-16)8-12-4-5-12/h6-7,10,12,14H,2-5,8H2,1H3
InChIKeyFTVYPRQTQQRHJB-UHFFFAOYSA-N
XLogP3.50
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-(1-ethoxyethenyl)-5-propan-2-yloxypyridine
CID 169004083
2-(1-ethoxyethenyl)-5-fluoropyridine
CID 90409536
methyl 6-(1-ethoxyethenyl)pyridine-3-carboxylate
CID 166150412
ethyl 2-cyano-2-(6-methoxy-3-pyridinyl)acetate
CID 118104999
ethyl 4-[(R)-cyano(pyridin-3-yl)methyl]piperidine-1-carboxylate
CID 129362508
ethyl (3R)-3-cyano-3-(4-cycloheptylphenyl)propanoate
CID 129386228
ethyl (2S)-2-cyano-2-pyridin-3-ylacetate
CID 86324961
5-[cyclopropyl(methoxy)methyl]pyridine-2-carboxamide
CID 68841098
(6-methyl-3-pyridinyl)-(4-propylcyclohexyl)methanamine
CID 65424529
2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]pentanenitrile
CID 174702784
ethyl 2-cyano-2-[4-(cyclopropylsulfamoyl)phenyl]acetate
CID 104571450
ethyl 2-(6-methylsulfanyl-3-pyridinyl)-3-(oxan-4-yl)propanoate
CID 59331577

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[6-(1-ethoxyethenyl)-3-pyridinyl]propanenitrile?
The IUPAC name of 3-cyclopropyl-2-[6-(1-ethoxyethenyl)-3-pyridinyl]propanenitrile (CID 86716183) is 3-cyclopropyl-2-[6-(1-ethoxyethenyl)-3-pyridinyl]propanenitrile.
What is the SMILES notation for 3-cyclopropyl-2-[6-(1-ethoxyethenyl)-3-pyridinyl]propanenitrile?
The canonical SMILES for 3-cyclopropyl-2-[6-(1-ethoxyethenyl)-3-pyridinyl]propanenitrile is C=C(OCC)c1ccc(C(C#N)CC2CC2)cn1.
What is the InChIKey of 3-cyclopropyl-2-[6-(1-ethoxyethenyl)-3-pyridinyl]propanenitrile?
The InChIKey is FTVYPRQTQQRHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-18-11(2)15-7-6-13(10-17-15)14(9-16)8-12-4-5-12/h6-7,10,12,14H,2-5,8H2,1H3.
What are the key properties of 3-cyclopropyl-2-[6-(1-ethoxyethenyl)-3-pyridinyl]propanenitrile?
3-cyclopropyl-2-[6-(1-ethoxyethenyl)-3-pyridinyl]propanenitrile has a molecular weight of 242.32 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[6-(1-ethoxyethenyl)-3-pyridinyl]propanenitrile is sourced from PubChem (CID 86716183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).