ethyl (Z)-2-cyano-3-pyridin-3-ylprop-2-enoate

C11H10N2O2 — CID 5399040

IUPACethyl (Z)-2-cyano-3-pyridin-3-ylprop-2-enoate
SMILESCCOC(=O)/C(C#N)=C\c1cccnc1
InChIInChI=1S/C11H10N2O2/c1-2-15-11(14)10(7-12)6-9-4-3-5-13-8-9/h3-6,8H,2H2,1H3/b10-6-
InChIKeyBMMBXBIFKMYOLF-POHAHGRESA-N
MW202.21 g/mol
LogP1.55
Rot. Bonds3

About ethyl (Z)-2-cyano-3-pyridin-3-ylprop-2-enoate

ethyl (Z)-2-cyano-3-pyridin-3-ylprop-2-enoate (PubChem CID 5399040) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is ethyl (Z)-2-cyano-3-pyridin-3-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-cyano-3-pyridin-3-ylprop-2-enoate
PubChem CID5399040
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Nameethyl (Z)-2-cyano-3-pyridin-3-ylprop-2-enoate
SMILESCCOC(=O)/C(C#N)=C\c1cccnc1
InChIInChI=1S/C11H10N2O2/c1-2-15-11(14)10(7-12)6-9-4-3-5-13-8-9/h3-6,8H,2H2,1H3/b10-6-
InChIKeyBMMBXBIFKMYOLF-POHAHGRESA-N
XLogP1.55
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-cyano-3-pyridin-3-ylprop-2-enoate?
The IUPAC name of ethyl (Z)-2-cyano-3-pyridin-3-ylprop-2-enoate (CID 5399040) is ethyl (Z)-2-cyano-3-pyridin-3-ylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-cyano-3-pyridin-3-ylprop-2-enoate?
The canonical SMILES for ethyl (Z)-2-cyano-3-pyridin-3-ylprop-2-enoate is CCOC(=O)/C(C#N)=C\c1cccnc1.
What is the InChIKey of ethyl (Z)-2-cyano-3-pyridin-3-ylprop-2-enoate?
The InChIKey is BMMBXBIFKMYOLF-POHAHGRESA-N. The full InChI is InChI=1S/C11H10N2O2/c1-2-15-11(14)10(7-12)6-9-4-3-5-13-8-9/h3-6,8H,2H2,1H3/b10-6-.
What are the key properties of ethyl (Z)-2-cyano-3-pyridin-3-ylprop-2-enoate?
ethyl (Z)-2-cyano-3-pyridin-3-ylprop-2-enoate has a molecular weight of 202.21 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-cyano-3-pyridin-3-ylprop-2-enoate is sourced from PubChem (CID 5399040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).