ethyl (Z)-2-cyano-3-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]prop-2-enoate

C19H16N2O2 — CID 177466132

IUPACethyl (Z)-2-cyano-3-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]prop-2-enoate
SMILESCCOC(=O)/C(C#N)=C\c1ccc(/C=C/c2ccccn2)cc1
InChIInChI=1S/C19H16N2O2/c1-2-23-19(22)17(14-20)13-16-8-6-15(7-9-16)10-11-18-5-3-4-12-21-18/h3-13H,2H2,1H3/b11-10+,17-13-
InChIKeyFIVUMVYJMGWJFJ-HNMBUVAWSA-N
MW304.35 g/mol
LogP3.72
Rot. Bonds5

About ethyl (Z)-2-cyano-3-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]prop-2-enoate

ethyl (Z)-2-cyano-3-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]prop-2-enoate (PubChem CID 177466132) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl (Z)-2-cyano-3-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-cyano-3-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]prop-2-enoate
PubChem CID177466132
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Nameethyl (Z)-2-cyano-3-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]prop-2-enoate
SMILESCCOC(=O)/C(C#N)=C\c1ccc(/C=C/c2ccccn2)cc1
InChIInChI=1S/C19H16N2O2/c1-2-23-19(22)17(14-20)13-16-8-6-15(7-9-16)10-11-18-5-3-4-12-21-18/h3-13H,2H2,1H3/b11-10+,17-13-
InChIKeyFIVUMVYJMGWJFJ-HNMBUVAWSA-N
XLogP3.72
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.72
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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Related Compounds

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CID 2384659
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2-[(E)-2-cyano-3-phenylprop-2-enoyl]oxyethyl (E)-2-cyano-3-phenylprop-2-enoate
CID 2426764
ethyl (Z)-2-cyano-3-[4-(1,3-dihydroisoindol-2-yl)phenyl]prop-2-enoate
CID 5400987
potassium [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenyl]-trifluoroboranuide
CID 135072604
ethyl (Z)-2-cyano-3-(4-propan-2-yloxyphenyl)prop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-cyano-3-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]prop-2-enoate?
The IUPAC name of ethyl (Z)-2-cyano-3-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]prop-2-enoate (CID 177466132) is ethyl (Z)-2-cyano-3-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-cyano-3-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-cyano-3-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]prop-2-enoate is CCOC(=O)/C(C#N)=C\c1ccc(/C=C/c2ccccn2)cc1.
What is the InChIKey of ethyl (Z)-2-cyano-3-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]prop-2-enoate?
The InChIKey is FIVUMVYJMGWJFJ-HNMBUVAWSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-2-23-19(22)17(14-20)13-16-8-6-15(7-9-16)10-11-18-5-3-4-12-21-18/h3-13H,2H2,1H3/b11-10+,17-13-.
What are the key properties of ethyl (Z)-2-cyano-3-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]prop-2-enoate?
ethyl (Z)-2-cyano-3-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]prop-2-enoate has a molecular weight of 304.35 g/mol, XLogP of 3.72, 5 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-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]prop-2-enoate is sourced from PubChem (CID 177466132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).