ethyl (Z)-2-cyano-3-(4-propan-2-yloxyphenyl)prop-2-enoate

C15H17NO3 — CID 6388784

IUPACethyl (Z)-2-cyano-3-(4-propan-2-yloxyphenyl)prop-2-enoate
SMILESCCOC(=O)/C(C#N)=C\c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H17NO3/c1-4-18-15(17)13(10-16)9-12-5-7-14(8-6-12)19-11(2)3/h5-9,11H,4H2,1-3H3/b13-9-
InChIKeyISISXFVYWJPXST-LCYFTJDESA-N
MW259.31 g/mol
LogP2.94
Rot. Bonds5

About ethyl (Z)-2-cyano-3-(4-propan-2-yloxyphenyl)prop-2-enoate

ethyl (Z)-2-cyano-3-(4-propan-2-yloxyphenyl)prop-2-enoate (PubChem CID 6388784) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl (Z)-2-cyano-3-(4-propan-2-yloxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-cyano-3-(4-propan-2-yloxyphenyl)prop-2-enoate
PubChem CID6388784
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Nameethyl (Z)-2-cyano-3-(4-propan-2-yloxyphenyl)prop-2-enoate
SMILESCCOC(=O)/C(C#N)=C\c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H17NO3/c1-4-18-15(17)13(10-16)9-12-5-7-14(8-6-12)19-11(2)3/h5-9,11H,4H2,1-3H3/b13-9-
InChIKeyISISXFVYWJPXST-LCYFTJDESA-N
XLogP2.94
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.94
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'}

Analyze ethyl (Z)-2-cyano-3-(4-propan-2-yloxyphenyl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxyethyl (Z)-2-cyano-3-(4-propan-2-yloxyphenyl)prop-2-enoate
CID 23007417
ethyl (Z)-3-(4-aminophenyl)-2-cyanoprop-2-enoate
CID 2307363
ethyl (Z)-2-cyano-3-(4-ethylphenyl)prop-2-enoate
CID 6379099
ethyl 2-cyano-3-[4-(trifluoromethoxy)phenyl]prop-2-enoate
CID 75864718
ethyl (E)-2-cyano-3-(4-decoxyphenyl)prop-2-enoate
CID 170874354
ethyl (E)-2-cyano-3-[4-[[2-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]anilino]-2-oxoacetyl]amino]phenyl]prop-2-enoate
CID 6304333
ethyl (Z)-2-cyano-3-[4-[(E)-2-cyano-5-hydroxy-3-oxopent-1-en-4-ynyl]phenyl]prop-2-enoate
CID 157179628
ethyl (E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoate
CID 728728
potassium [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenyl]-trifluoroboranuide
CID 135072604
[(1R)-1-cyanoethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate
CID 8884672
diethyl 5-[3-cyano-2-oxo-4-(4-propan-2-yloxyphenyl)but-3-enyl]-3-methylthiophene-2,4-dicarboxylate
CID 4662153
ethyl (E)-3-[3-[2-(4-tert-butylphenoxy)propanoyloxy]phenyl]-2-cyanoprop-2-enoate
CID 19203511

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-cyano-3-(4-propan-2-yloxyphenyl)prop-2-enoate?
The IUPAC name of ethyl (Z)-2-cyano-3-(4-propan-2-yloxyphenyl)prop-2-enoate (CID 6388784) is ethyl (Z)-2-cyano-3-(4-propan-2-yloxyphenyl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-cyano-3-(4-propan-2-yloxyphenyl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-cyano-3-(4-propan-2-yloxyphenyl)prop-2-enoate is CCOC(=O)/C(C#N)=C\c1ccc(OC(C)C)cc1.
What is the InChIKey of ethyl (Z)-2-cyano-3-(4-propan-2-yloxyphenyl)prop-2-enoate?
The InChIKey is ISISXFVYWJPXST-LCYFTJDESA-N. The full InChI is InChI=1S/C15H17NO3/c1-4-18-15(17)13(10-16)9-12-5-7-14(8-6-12)19-11(2)3/h5-9,11H,4H2,1-3H3/b13-9-.
What are the key properties of ethyl (Z)-2-cyano-3-(4-propan-2-yloxyphenyl)prop-2-enoate?
ethyl (Z)-2-cyano-3-(4-propan-2-yloxyphenyl)prop-2-enoate has a molecular weight of 259.31 g/mol, XLogP of 2.94, 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-propan-2-yloxyphenyl)prop-2-enoate is sourced from PubChem (CID 6388784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).