prop-2-enyl 3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate

C16H18O3 — CID 10422644

IUPACprop-2-enyl 3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate
SMILESC=CCOC(=O)CCC1CCc2ccccc2C1=O
InChIInChI=1S/C16H18O3/c1-2-11-19-15(17)10-9-13-8-7-12-5-3-4-6-14(12)16(13)18/h2-6,13H,1,7-11H2
InChIKeyRZADZYNJLJDJBB-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.94
Rot. Bonds5

About prop-2-enyl 3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate

prop-2-enyl 3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate (PubChem CID 10422644) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is prop-2-enyl 3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate.

Molecular Properties

Compound Nameprop-2-enyl 3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate
PubChem CID10422644
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Nameprop-2-enyl 3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate
SMILESC=CCOC(=O)CCC1CCc2ccccc2C1=O
InChIInChI=1S/C16H18O3/c1-2-11-19-15(17)10-9-13-8-7-12-5-3-4-6-14(12)16(13)18/h2-6,13H,1,7-11H2
InChIKeyRZADZYNJLJDJBB-UHFFFAOYSA-N
XLogP2.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate?
The IUPAC name of prop-2-enyl 3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate (CID 10422644) is prop-2-enyl 3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate.
What is the SMILES notation for prop-2-enyl 3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate?
The canonical SMILES for prop-2-enyl 3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate is C=CCOC(=O)CCC1CCc2ccccc2C1=O.
What is the InChIKey of prop-2-enyl 3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate?
The InChIKey is RZADZYNJLJDJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-2-11-19-15(17)10-9-13-8-7-12-5-3-4-6-14(12)16(13)18/h2-6,13H,1,7-11H2.
What are the key properties of prop-2-enyl 3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate?
prop-2-enyl 3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate has a molecular weight of 258.32 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate is sourced from PubChem (CID 10422644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).