methyl (E)-3-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]prop-2-enoate

C17H15NO2 — CID 101358930

IUPACmethyl (E)-3-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(/C=C/c2ccncc2)cc1
InChIInChI=1S/C17H15NO2/c1-20-17(19)9-8-15-4-2-14(3-5-15)6-7-16-10-12-18-13-11-16/h2-13H,1H3/b7-6+,9-8+
InChIKeyNRNXWLYSKZJQFS-BLHCBFLLSA-N
MW265.31 g/mol
LogP3.44
Rot. Bonds4

About methyl (E)-3-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]prop-2-enoate

methyl (E)-3-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]prop-2-enoate (PubChem CID 101358930) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl (E)-3-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]prop-2-enoate
PubChem CID101358930
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Namemethyl (E)-3-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(/C=C/c2ccncc2)cc1
InChIInChI=1S/C17H15NO2/c1-20-17(19)9-8-15-4-2-14(3-5-15)6-7-16-10-12-18-13-11-16/h2-13H,1H3/b7-6+,9-8+
InChIKeyNRNXWLYSKZJQFS-BLHCBFLLSA-N
XLogP3.44
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
methyl (E)-3-(4-formylphenyl)prop-2-enoate
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methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
methyl 3-(4-bromophenyl)prop-2-enoate
CID 816773
methyl (E)-3-(4-trimethylsilyloxyphenyl)prop-2-enoate
CID 5377244
methyl (E)-3-[4-(hydroxyiminomethyl)phenyl]prop-2-enoate
CID 173183558
methyl (E)-3-[4-[(Z)-hydroxyiminomethyl]phenyl]prop-2-enoate
CID 87885126
methyl 3-(4-methylsulfanylphenyl)prop-2-enoate
CID 6624383
methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 11823692
methyl (E)-3-pyrimidin-5-ylprop-2-enoate
CID 18470237
methyl (E)-3-[4-(iodomethyl)phenyl]prop-2-enoate
CID 121222493
methyl (E)-3-[4-[[4-[(E)-3-methoxy-3-oxoprop-1-enyl]anilino]methylamino]phenyl]prop-2-enoate
CID 102327819

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]prop-2-enoate (CID 101358930) is methyl (E)-3-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]prop-2-enoate is COC(=O)/C=C/c1ccc(/C=C/c2ccncc2)cc1.
What is the InChIKey of methyl (E)-3-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]prop-2-enoate?
The InChIKey is NRNXWLYSKZJQFS-BLHCBFLLSA-N. The full InChI is InChI=1S/C17H15NO2/c1-20-17(19)9-8-15-4-2-14(3-5-15)6-7-16-10-12-18-13-11-16/h2-13H,1H3/b7-6+,9-8+.
What are the key properties of methyl (E)-3-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]prop-2-enoate?
methyl (E)-3-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]prop-2-enoate has a molecular weight of 265.31 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]prop-2-enoate is sourced from PubChem (CID 101358930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).