methyl 3-naphthalen-2-ylbut-2-enoate

C15H14O2 — CID 54449907

IUPACmethyl 3-naphthalen-2-ylbut-2-enoate
SMILESCOC(=O)C=C(C)c1ccc2ccccc2c1
InChIInChI=1S/C15H14O2/c1-11(9-15(16)17-2)13-8-7-12-5-3-4-6-14(12)10-13/h3-10H,1-2H3
InChIKeyWUFATOSEBGBDPL-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.42
Rot. Bonds2

About methyl 3-naphthalen-2-ylbut-2-enoate

methyl 3-naphthalen-2-ylbut-2-enoate (PubChem CID 54449907) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is methyl 3-naphthalen-2-ylbut-2-enoate.

Molecular Properties

Compound Namemethyl 3-naphthalen-2-ylbut-2-enoate
PubChem CID54449907
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Namemethyl 3-naphthalen-2-ylbut-2-enoate
SMILESCOC(=O)C=C(C)c1ccc2ccccc2c1
InChIInChI=1S/C15H14O2/c1-11(9-15(16)17-2)13-8-7-12-5-3-4-6-14(12)10-13/h3-10H,1-2H3
InChIKeyWUFATOSEBGBDPL-UHFFFAOYSA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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'}

Analyze methyl 3-naphthalen-2-ylbut-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

3-naphthalen-2-ylbut-2-enoyl chloride
CID 91215732
methyl (E)-3-(4-methoxyphenyl)but-2-enoate
CID 11074539
methyl (E)-3-phenylbut-2-enoate
CID 5354835
methyl (2E,4E)-2-methoxy-5-naphthalen-2-ylhexa-2,4-dienoate
CID 139785095
methyl (E)-3-[4-fluoro-3-(2-fluorophenyl)phenyl]but-2-enoate
CID 82543597
ethane;methyl naphthalene-2-carboxylate
CID 143895262
(E)-2-naphthalen-2-ylprop-1-en-1-ol
CID 70376926
methyl (E)-3-[4-fluoro-3-(4-methoxyphenyl)phenyl]but-2-enoate
CID 82543563
methyl 2-naphthalen-2-yl-2-oxoacetate
CID 3726008
2-[(E)-1-nitroprop-1-en-2-yl]naphthalene
CID 25033772
methyl 3-chloro-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate
CID 22724804
methyl (Z)-3-(3,5-dimethylphenyl)but-2-enoate
CID 11790323

Frequently Asked Questions

What is the IUPAC name of methyl 3-naphthalen-2-ylbut-2-enoate?
The IUPAC name of methyl 3-naphthalen-2-ylbut-2-enoate (CID 54449907) is methyl 3-naphthalen-2-ylbut-2-enoate.
What is the SMILES notation for methyl 3-naphthalen-2-ylbut-2-enoate?
The canonical SMILES for methyl 3-naphthalen-2-ylbut-2-enoate is COC(=O)C=C(C)c1ccc2ccccc2c1.
What is the InChIKey of methyl 3-naphthalen-2-ylbut-2-enoate?
The InChIKey is WUFATOSEBGBDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-11(9-15(16)17-2)13-8-7-12-5-3-4-6-14(12)10-13/h3-10H,1-2H3.
What are the key properties of methyl 3-naphthalen-2-ylbut-2-enoate?
methyl 3-naphthalen-2-ylbut-2-enoate has a molecular weight of 226.27 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-naphthalen-2-ylbut-2-enoate is sourced from PubChem (CID 54449907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).