2-(2-oxo-3-prop-2-enoxy-1-pyridinyl)acetonitrile

C10H10N2O2 — CID 82143634

IUPAC2-(2-oxo-3-prop-2-enoxy-1-pyridinyl)acetonitrile
SMILESC=CCOc1cccn(CC#N)c1=O
InChIInChI=1S/C10H10N2O2/c1-2-8-14-9-4-3-6-12(7-5-11)10(9)13/h2-4,6H,1,7-8H2
InChIKeyGNVLMAHVNQTBHV-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.94
Rot. Bonds4

About 2-(2-oxo-3-prop-2-enoxy-1-pyridinyl)acetonitrile

2-(2-oxo-3-prop-2-enoxy-1-pyridinyl)acetonitrile (PubChem CID 82143634) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(2-oxo-3-prop-2-enoxy-1-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(2-oxo-3-prop-2-enoxy-1-pyridinyl)acetonitrile
PubChem CID82143634
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-(2-oxo-3-prop-2-enoxy-1-pyridinyl)acetonitrile
SMILESC=CCOc1cccn(CC#N)c1=O
InChIInChI=1S/C10H10N2O2/c1-2-8-14-9-4-3-6-12(7-5-11)10(9)13/h2-4,6H,1,7-8H2
InChIKeyGNVLMAHVNQTBHV-UHFFFAOYSA-N
XLogP0.94
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-oxo-3-prop-2-enoxy-1-pyridinyl)methyl]benzonitrile
CID 82150658
1-(2-hydroxyethyl)-3-prop-2-enoxypyridin-2-one
CID 82150726
1-(2-aminobutyl)-3-prop-2-enoxypyridin-2-one
CID 82144040
3-(3-ethoxy-2-oxo-1-pyridinyl)propanenitrile
CID 82143490
2-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 70438721
2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetonitrile
CID 7286816
2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetaldehyde
CID 135229192
2,3-bis(prop-2-enoxy)benzonitrile
CID 118571042
5-prop-2-enoxy-2-propylisoquinolin-1-one
CID 43985528
2-methyl-3-(2-oxo-3-propoxy-1-pyridinyl)propanenitrile
CID 82146374
4-[3-[(4-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanenitrile
CID 82151941
5-prop-2-enoxy-2H-isoquinolin-1-one
CID 43985645

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3-prop-2-enoxy-1-pyridinyl)acetonitrile?
The IUPAC name of 2-(2-oxo-3-prop-2-enoxy-1-pyridinyl)acetonitrile (CID 82143634) is 2-(2-oxo-3-prop-2-enoxy-1-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(2-oxo-3-prop-2-enoxy-1-pyridinyl)acetonitrile?
The canonical SMILES for 2-(2-oxo-3-prop-2-enoxy-1-pyridinyl)acetonitrile is C=CCOc1cccn(CC#N)c1=O.
What is the InChIKey of 2-(2-oxo-3-prop-2-enoxy-1-pyridinyl)acetonitrile?
The InChIKey is GNVLMAHVNQTBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-8-14-9-4-3-6-12(7-5-11)10(9)13/h2-4,6H,1,7-8H2.
What are the key properties of 2-(2-oxo-3-prop-2-enoxy-1-pyridinyl)acetonitrile?
2-(2-oxo-3-prop-2-enoxy-1-pyridinyl)acetonitrile has a molecular weight of 190.20 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3-prop-2-enoxy-1-pyridinyl)acetonitrile is sourced from PubChem (CID 82143634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).