naphthalen-1-yl prop-2-enoate

C13H10O2 — CID 10192638

IUPACnaphthalen-1-yl prop-2-enoate
SMILESC=CC(=O)Oc1cccc2ccccc12
InChIInChI=1S/C13H10O2/c1-2-13(14)15-12-9-5-7-10-6-3-4-8-11(10)12/h2-9H,1H2
InChIKeySOEDHYUFNWMILE-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.93
Rot. Bonds2

About naphthalen-1-yl prop-2-enoate

naphthalen-1-yl prop-2-enoate (PubChem CID 10192638) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is naphthalen-1-yl prop-2-enoate.

Molecular Properties

Compound Namenaphthalen-1-yl prop-2-enoate
PubChem CID10192638
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Namenaphthalen-1-yl prop-2-enoate
SMILESC=CC(=O)Oc1cccc2ccccc12
InChIInChI=1S/C13H10O2/c1-2-13(14)15-12-9-5-7-10-6-3-4-8-11(10)12/h2-9H,1H2
InChIKeySOEDHYUFNWMILE-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728
2-prop-2-enoyloxynaphthalene-1-sulfonic acid
CID 19032205
naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid
CID 174897814
[4-hydroxy-2-(2-naphthalen-1-yloxyethyl)phenyl] prop-2-enoate
CID 91135310
naphthalen-1-yl 3-phenylprop-2-enoate
CID 788595
[5-[(E)-3-prop-2-enoyloxybut-2-en-2-yl]oxynaphthalen-1-yl] prop-2-enoate
CID 118881544
naphthalen-1-yl 2-prop-2-enoxyprop-2-enoate
CID 176885863
(2-carbazol-9-ylphenyl) prop-2-enoate
CID 174212207
[3-[6,7-di(prop-2-enoyloxy)phenanthren-1-yl]-2-prop-2-enoyloxyphenyl] prop-2-enoate
CID 118013838
1-O-(2,3-dichlorophenyl) 4-O-naphthalen-1-yl (E)-but-2-enedioate
CID 91718772
dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654
(2-methoxyphenyl) prop-2-enoate
CID 22987486

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl prop-2-enoate?
The IUPAC name of naphthalen-1-yl prop-2-enoate (CID 10192638) is naphthalen-1-yl prop-2-enoate.
What is the SMILES notation for naphthalen-1-yl prop-2-enoate?
The canonical SMILES for naphthalen-1-yl prop-2-enoate is C=CC(=O)Oc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl prop-2-enoate?
The InChIKey is SOEDHYUFNWMILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c1-2-13(14)15-12-9-5-7-10-6-3-4-8-11(10)12/h2-9H,1H2.
What are the key properties of naphthalen-1-yl prop-2-enoate?
naphthalen-1-yl prop-2-enoate has a molecular weight of 198.22 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl prop-2-enoate is sourced from PubChem (CID 10192638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).