prop-2-enyl 3-prop-2-enoyloxynaphthalene-2-carboxylate

C17H14O4 — CID 58097687

IUPACprop-2-enyl 3-prop-2-enoyloxynaphthalene-2-carboxylate
SMILESC=CCOC(=O)c1cc2ccccc2cc1OC(=O)C=C
InChIInChI=1S/C17H14O4/c1-3-9-20-17(19)14-10-12-7-5-6-8-13(12)11-15(14)21-16(18)4-2/h3-8,10-11H,1-2,9H2
InChIKeyNFZSGPQUVJWVKL-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.27
Rot. Bonds5

About prop-2-enyl 3-prop-2-enoyloxynaphthalene-2-carboxylate

prop-2-enyl 3-prop-2-enoyloxynaphthalene-2-carboxylate (PubChem CID 58097687) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is prop-2-enyl 3-prop-2-enoyloxynaphthalene-2-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 3-prop-2-enoyloxynaphthalene-2-carboxylate
PubChem CID58097687
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Nameprop-2-enyl 3-prop-2-enoyloxynaphthalene-2-carboxylate
SMILESC=CCOC(=O)c1cc2ccccc2cc1OC(=O)C=C
InChIInChI=1S/C17H14O4/c1-3-9-20-17(19)14-10-12-7-5-6-8-13(12)11-15(14)21-16(18)4-2/h3-8,10-11H,1-2,9H2
InChIKeyNFZSGPQUVJWVKL-UHFFFAOYSA-N
XLogP3.27
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 4-methyl-2-prop-2-enoyloxybenzoate
CID 174585078
bis(prop-2-enyl) benzene-1,2-dicarboxylate
CID 8560
bis(prop-2-enyl) benzene-1,2-dicarboxylate;hydron
CID 174523101
bis(prop-2-enyl) naphthalene-1,2-dicarboxylate
CID 19710369
naphthalen-1-yl prop-2-enoate
CID 10192638
prop-2-enyl 2-carboxyoxybenzoate
CID 68885826
bis(prop-2-enyl) 2-methylnaphthalene-1,3-dicarboxylate
CID 53236040
bis(prop-2-enyl) benzene-1,2-dicarboxylate;formonitrile;urea
CID 174812366
phenyl 2-prop-2-enoyloxybenzoate
CID 10858474
phenyl 4-methyl-2-prop-2-enoyloxybenzoate
CID 89405536
1-(3-aminonaphthalen-2-yl)but-3-en-1-one
CID 116560321
sodium 2-prop-2-enoxycarbonylphenolate
CID 66916174

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-prop-2-enoyloxynaphthalene-2-carboxylate?
The IUPAC name of prop-2-enyl 3-prop-2-enoyloxynaphthalene-2-carboxylate (CID 58097687) is prop-2-enyl 3-prop-2-enoyloxynaphthalene-2-carboxylate.
What is the SMILES notation for prop-2-enyl 3-prop-2-enoyloxynaphthalene-2-carboxylate?
The canonical SMILES for prop-2-enyl 3-prop-2-enoyloxynaphthalene-2-carboxylate is C=CCOC(=O)c1cc2ccccc2cc1OC(=O)C=C.
What is the InChIKey of prop-2-enyl 3-prop-2-enoyloxynaphthalene-2-carboxylate?
The InChIKey is NFZSGPQUVJWVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-3-9-20-17(19)14-10-12-7-5-6-8-13(12)11-15(14)21-16(18)4-2/h3-8,10-11H,1-2,9H2.
What are the key properties of prop-2-enyl 3-prop-2-enoyloxynaphthalene-2-carboxylate?
prop-2-enyl 3-prop-2-enoyloxynaphthalene-2-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-prop-2-enoyloxynaphthalene-2-carboxylate is sourced from PubChem (CID 58097687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).