prop-2-enyl 2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetate

C15H16O3 — CID 67854972

IUPACprop-2-enyl 2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetate
SMILESC=CCOC(=O)Cc1ccc2c(c1)CCC(=O)C2
InChIInChI=1S/C15H16O3/c1-2-7-18-15(17)9-11-3-4-13-10-14(16)6-5-12(13)8-11/h2-4,8H,1,5-7,9-10H2
InChIKeySMTWKKUSHOHYCV-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.02
Rot. Bonds4

About prop-2-enyl 2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetate

prop-2-enyl 2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetate (PubChem CID 67854972) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is prop-2-enyl 2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetate
PubChem CID67854972
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Nameprop-2-enyl 2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetate
SMILESC=CCOC(=O)Cc1ccc2c(c1)CCC(=O)C2
InChIInChI=1S/C15H16O3/c1-2-7-18-15(17)9-11-3-4-13-10-14(16)6-5-12(13)8-11/h2-4,8H,1,5-7,9-10H2
InChIKeySMTWKKUSHOHYCV-UHFFFAOYSA-N
XLogP2.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)ethyl prop-2-enoate
CID 123669497
prop-2-enyl 2-(4-hydroxyphenyl)acetate
CID 11275537
prop-2-enyl 2-(4-aminophenyl)acetate
CID 91683020
prop-2-enyl 2-(4-iodophenyl)acetate
CID 175438229
prop-2-enyl 2,3-dihydro-1H-indene-5-carboxylate
CID 58125258
prop-2-enyl 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate
CID 46949350
prop-2-enyl 2-(4-propan-2-ylphenyl)acetate
CID 175438226
2-methylsulfanylethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 78832622
3-(2-oxo-2-prop-2-enoxyethyl)benzenesulfinate
CID 174399286
2-(2,3-dihydro-1H-inden-5-yl)-N-prop-2-enylacetamide
CID 60645760
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 25653
prop-2-enyl 2-[4-(2-hydroxyphenyl)phenyl]acetate
CID 67659535

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetate?
The IUPAC name of prop-2-enyl 2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetate (CID 67854972) is prop-2-enyl 2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetate.
What is the SMILES notation for prop-2-enyl 2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetate?
The canonical SMILES for prop-2-enyl 2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetate is C=CCOC(=O)Cc1ccc2c(c1)CCC(=O)C2.
What is the InChIKey of prop-2-enyl 2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetate?
The InChIKey is SMTWKKUSHOHYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-2-7-18-15(17)9-11-3-4-13-10-14(16)6-5-12(13)8-11/h2-4,8H,1,5-7,9-10H2.
What are the key properties of prop-2-enyl 2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetate?
prop-2-enyl 2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetate has a molecular weight of 244.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetate is sourced from PubChem (CID 67854972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).