methyl (E)-3-naphthalen-1-ylprop-2-enoate

C14H12O2 — CID 1482740

IUPACmethyl (E)-3-naphthalen-1-ylprop-2-enoate
SMILESCOC(=O)/C=C/c1cccc2ccccc12
InChIInChI=1S/C14H12O2/c1-16-14(15)10-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-10H,1H3/b10-9+
InChIKeyMNGYPDQJVYJTLM-MDZDMXLPSA-N
MW212.25 g/mol
LogP3.03
Rot. Bonds2

About methyl (E)-3-naphthalen-1-ylprop-2-enoate

methyl (E)-3-naphthalen-1-ylprop-2-enoate (PubChem CID 1482740) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl (E)-3-naphthalen-1-ylprop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-naphthalen-1-ylprop-2-enoate
PubChem CID1482740
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Namemethyl (E)-3-naphthalen-1-ylprop-2-enoate
SMILESCOC(=O)/C=C/c1cccc2ccccc12
InChIInChI=1S/C14H12O2/c1-16-14(15)10-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-10H,1H3/b10-9+
InChIKeyMNGYPDQJVYJTLM-MDZDMXLPSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.03
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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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-naphthalen-1-ylprop-2-enoate?
The IUPAC name of methyl (E)-3-naphthalen-1-ylprop-2-enoate (CID 1482740) is methyl (E)-3-naphthalen-1-ylprop-2-enoate.
What is the SMILES notation for methyl (E)-3-naphthalen-1-ylprop-2-enoate?
The canonical SMILES for methyl (E)-3-naphthalen-1-ylprop-2-enoate is COC(=O)/C=C/c1cccc2ccccc12.
What is the InChIKey of methyl (E)-3-naphthalen-1-ylprop-2-enoate?
The InChIKey is MNGYPDQJVYJTLM-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H12O2/c1-16-14(15)10-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-10H,1H3/b10-9+.
What are the key properties of methyl (E)-3-naphthalen-1-ylprop-2-enoate?
methyl (E)-3-naphthalen-1-ylprop-2-enoate has a molecular weight of 212.25 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-naphthalen-1-ylprop-2-enoate is sourced from PubChem (CID 1482740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).