ethyl 2-cyano-2-(3,4-dihydro-1H-naphthalen-2-ylidene)acetate

C15H15NO2 — CID 71351323

IUPACethyl 2-cyano-2-(3,4-dihydro-1H-naphthalen-2-ylidene)acetate
SMILESCCOC(=O)C(C#N)=C1CCc2ccccc2C1
InChIInChI=1S/C15H15NO2/c1-2-18-15(17)14(10-16)13-8-7-11-5-3-4-6-12(11)9-13/h3-6H,2,7-9H2,1H3
InChIKeyRGSKLTLXDLXWAW-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.56
Rot. Bonds2

About ethyl 2-cyano-2-(3,4-dihydro-1H-naphthalen-2-ylidene)acetate

ethyl 2-cyano-2-(3,4-dihydro-1H-naphthalen-2-ylidene)acetate (PubChem CID 71351323) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is ethyl 2-cyano-2-(3,4-dihydro-1H-naphthalen-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl 2-cyano-2-(3,4-dihydro-1H-naphthalen-2-ylidene)acetate
PubChem CID71351323
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Nameethyl 2-cyano-2-(3,4-dihydro-1H-naphthalen-2-ylidene)acetate
SMILESCCOC(=O)C(C#N)=C1CCc2ccccc2C1
InChIInChI=1S/C15H15NO2/c1-2-18-15(17)14(10-16)13-8-7-11-5-3-4-6-12(11)9-13/h3-6H,2,7-9H2,1H3
InChIKeyRGSKLTLXDLXWAW-UHFFFAOYSA-N
XLogP2.56
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-cyano-2-(3,4-dihydro-1H-quinazolin-2-ylidene)acetate
CID 3614355
ethyl 2-cyano-2-(3-methylcyclobutylidene)acetate
CID 130556761
ethyl (2Z)-2-cyano-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetate
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ethyl 2-cyano-2-[1-(4-fluorophenyl)piperidin-4-ylidene]acetate
CID 58257583
ethyl 2-cyano-2-(1H-quinazolin-4-ylidene)acetate
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ethyl 2-cyano-2-(1-propylpiperidin-4-ylidene)acetate
CID 4050216
ethyl (2E)-2-cyano-2-(1H-quinolin-2-ylidene)acetate
CID 5382690
ethyl 2-(3H-1,3-benzothiazol-2-ylidene)-2-cyanoacetate
CID 78385752
ethyl (2E)-2-cyano-2-(4-methyl-1H-quinolin-2-ylidene)acetate
CID 6175174
CID 11130541
CID 11130541
ethyl 2-cyano-2-[6-(1-cyano-2-ethoxy-2-oxoethylidene)-1,4,2,5-dithiadiazinan-3-ylidene]acetate
CID 4624992
ethyl 2-cyano-2-(4-methyl-1,3-dithiol-2-ylidene)acetate
CID 54486361

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-2-(3,4-dihydro-1H-naphthalen-2-ylidene)acetate?
The IUPAC name of ethyl 2-cyano-2-(3,4-dihydro-1H-naphthalen-2-ylidene)acetate (CID 71351323) is ethyl 2-cyano-2-(3,4-dihydro-1H-naphthalen-2-ylidene)acetate.
What is the SMILES notation for ethyl 2-cyano-2-(3,4-dihydro-1H-naphthalen-2-ylidene)acetate?
The canonical SMILES for ethyl 2-cyano-2-(3,4-dihydro-1H-naphthalen-2-ylidene)acetate is CCOC(=O)C(C#N)=C1CCc2ccccc2C1.
What is the InChIKey of ethyl 2-cyano-2-(3,4-dihydro-1H-naphthalen-2-ylidene)acetate?
The InChIKey is RGSKLTLXDLXWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-2-18-15(17)14(10-16)13-8-7-11-5-3-4-6-12(11)9-13/h3-6H,2,7-9H2,1H3.
What are the key properties of ethyl 2-cyano-2-(3,4-dihydro-1H-naphthalen-2-ylidene)acetate?
ethyl 2-cyano-2-(3,4-dihydro-1H-naphthalen-2-ylidene)acetate has a molecular weight of 241.29 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-2-(3,4-dihydro-1H-naphthalen-2-ylidene)acetate is sourced from PubChem (CID 71351323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).