naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid

C17H16O4 — CID 174897814

IUPACnaphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid
SMILESC=C(C)C(=O)Oc1cccc2ccccc12.C=CC(=O)O
InChIInChI=1S/C14H12O2.C3H4O2/c1-10(2)14(15)16-13-9-5-7-11-6-3-4-8-12(11)13;1-2-3(4)5/h3-9H,1H2,2H3;2H,1H2,(H,4,5)
InChIKeyOYRZQOVEXKTVJL-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.58
Rot. Bonds3

About naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid

naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid (PubChem CID 174897814) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid.

Molecular Properties

Compound Namenaphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid
PubChem CID174897814
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Namenaphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid
SMILESC=C(C)C(=O)Oc1cccc2ccccc12.C=CC(=O)O
InChIInChI=1S/C14H12O2.C3H4O2/c1-10(2)14(15)16-13-9-5-7-11-6-3-4-8-12(11)13;1-2-3(4)5/h3-9H,1H2,2H3;2H,1H2,(H,4,5)
InChIKeyOYRZQOVEXKTVJL-UHFFFAOYSA-N
XLogP3.58
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid 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

ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
naphthalen-1-yl prop-2-enoate
CID 10192638
naphthalen-1-yl 2-methylpent-2-enoate
CID 174366930
[1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate
CID 58341857
naphthalen-1-yl 2-prop-2-enoxyprop-2-enoate
CID 176885863
(2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 150370008
2-O-naphthalen-1-yl 1-O-phenyl oxalate
CID 57149132
(7-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;yttrium
CID 59524574
3-O-(2-methylprop-2-enoyl) 1-O-naphthalen-1-yl 2-methylbenzene-1,3-dicarboxylate
CID 174507973
phenanthrene;prop-2-enoic acid
CID 88600118
(2-ethenylphenyl) 2-methylprop-2-enoate
CID 19607397
(1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate
CID 67218834

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid?
The IUPAC name of naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid (CID 174897814) is naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid.
What is the SMILES notation for naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid?
The canonical SMILES for naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid is C=C(C)C(=O)Oc1cccc2ccccc12.C=CC(=O)O.
What is the InChIKey of naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid?
The InChIKey is OYRZQOVEXKTVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.C3H4O2/c1-10(2)14(15)16-13-9-5-7-11-6-3-4-8-12(11)13;1-2-3(4)5/h3-9H,1H2,2H3;2H,1H2,(H,4,5).
What are the key properties of naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid?
naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid has a molecular weight of 284.31 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid is sourced from PubChem (CID 174897814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).