ethyl (Z)-3-naphthalen-1-ylprop-2-enoate

C15H14O2 — CID 101030806

IUPACethyl (Z)-3-naphthalen-1-ylprop-2-enoate
SMILESCCOC(=O)/C=C\c1cccc2ccccc12
InChIInChI=1S/C15H14O2/c1-2-17-15(16)11-10-13-8-5-7-12-6-3-4-9-14(12)13/h3-11H,2H2,1H3/b11-10-
InChIKeyWWJDZWOSNXKWHH-KHPPLWFESA-N
MW226.27 g/mol
LogP3.42
Rot. Bonds3

About ethyl (Z)-3-naphthalen-1-ylprop-2-enoate

ethyl (Z)-3-naphthalen-1-ylprop-2-enoate (PubChem CID 101030806) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is ethyl (Z)-3-naphthalen-1-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-naphthalen-1-ylprop-2-enoate
PubChem CID101030806
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Nameethyl (Z)-3-naphthalen-1-ylprop-2-enoate
SMILESCCOC(=O)/C=C\c1cccc2ccccc12
InChIInChI=1S/C15H14O2/c1-2-17-15(16)11-10-13-8-5-7-12-6-3-4-9-14(12)13/h3-11H,2H2,1H3/b11-10-
InChIKeyWWJDZWOSNXKWHH-KHPPLWFESA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(E)-3-naphthalen-1-ylprop-2-enoyl]oxybenzoate
CID 6234523
ethyl (E)-3-(3-hydroxy-2-methoxyphenyl)prop-2-enoate
CID 56950643
ethyl 3-(4-aminonaphthalen-1-yl)prop-2-enoate
CID 169480916
ethyl (E)-3-(3-methylisoquinolin-5-yl)prop-2-enoate
CID 82579894
ethyl 3-(2-iodophenyl)prop-2-enoate
CID 74333106
ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride
CID 70254002
ethyl 3-dibenzofuran-4-ylprop-2-enoate
CID 169481101
[2-(4-methylanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate
CID 733131
2-amino-3-(3-ethoxy-3-oxoprop-1-enyl)benzoic acid
CID 169480669
ethyl (E)-3-[6-(3-fluorophenyl)sulfonylnaphthalen-1-yl]prop-2-enoate
CID 59028790
[2-(4-ethoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate
CID 5178027
(E)-3-[2-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enoic acid
CID 22301101

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-naphthalen-1-ylprop-2-enoate?
The IUPAC name of ethyl (Z)-3-naphthalen-1-ylprop-2-enoate (CID 101030806) is ethyl (Z)-3-naphthalen-1-ylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-naphthalen-1-ylprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-naphthalen-1-ylprop-2-enoate is CCOC(=O)/C=C\c1cccc2ccccc12.
What is the InChIKey of ethyl (Z)-3-naphthalen-1-ylprop-2-enoate?
The InChIKey is WWJDZWOSNXKWHH-KHPPLWFESA-N. The full InChI is InChI=1S/C15H14O2/c1-2-17-15(16)11-10-13-8-5-7-12-6-3-4-9-14(12)13/h3-11H,2H2,1H3/b11-10-.
What are the key properties of ethyl (Z)-3-naphthalen-1-ylprop-2-enoate?
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate has a molecular weight of 226.27 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-naphthalen-1-ylprop-2-enoate is sourced from PubChem (CID 101030806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).