2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)ethyl prop-2-enoate

C15H16O3 — CID 123669497

IUPAC2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccc2c(c1)CCC(=O)C2
InChIInChI=1S/C15H16O3/c1-2-15(17)18-8-7-11-3-4-13-10-14(16)6-5-12(13)9-11/h2-4,9H,1,5-8,10H2
InChIKeyMYOJCJBUNUPVJJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.02
Rot. Bonds4

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

2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)ethyl prop-2-enoate (PubChem CID 123669497) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)ethyl prop-2-enoate
PubChem CID123669497
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccc2c(c1)CCC(=O)C2
InChIInChI=1S/C15H16O3/c1-2-15(17)18-8-7-11-3-4-13-10-14(16)6-5-12(13)9-11/h2-4,9H,1,5-8,10H2
InChIKeyMYOJCJBUNUPVJJ-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)ethyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

prop-2-enyl 2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetate
CID 67854972
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
2-(4-ethenylphenyl)ethyl prop-2-enoate
CID 163299720
2-(2,3-dihydro-1H-inden-5-yl)ethyl carbamate
CID 174986935
carbanide;2-(4-methanidylphenyl)ethyl prop-2-enoate;yttrium
CID 58731460
2-(4-benzylphenyl)ethyl prop-2-enoate
CID 18316835
2-(2-hydroxybenzotriazol-5-yl)ethyl prop-2-enoate
CID 19078866
2-[4-[9-[4-(2-prop-2-enoyloxyethyl)phenyl]fluoren-9-yl]phenyl]ethyl prop-2-enoate
CID 134346927
4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)butyl acetate
CID 58389492
2-(4-nitrophenyl)ethyl prop-2-enoate
CID 70496275
3-(3,4-dimethoxyphenyl)propyl prop-2-enoate
CID 67718834
bis[2-chloro-4-(2-prop-2-enoyloxyethyl)phenyl] cyclohexane-1,4-dicarboxylate
CID 23529952

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)ethyl prop-2-enoate?
The IUPAC name of 2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)ethyl prop-2-enoate (CID 123669497) is 2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)ethyl prop-2-enoate?
The canonical SMILES for 2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)ethyl prop-2-enoate is C=CC(=O)OCCc1ccc2c(c1)CCC(=O)C2.
What is the InChIKey of 2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)ethyl prop-2-enoate?
The InChIKey is MYOJCJBUNUPVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-2-15(17)18-8-7-11-3-4-13-10-14(16)6-5-12(13)9-11/h2-4,9H,1,5-8,10H2.
What are the key properties of 2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)ethyl prop-2-enoate?
2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)ethyl prop-2-enoate 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 2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)ethyl prop-2-enoate is sourced from PubChem (CID 123669497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).