6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carbonitrile

C15H15NO2 — CID 70610370

IUPAC6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carbonitrile
SMILESC=CCC1(C#N)CCc2cc(OC)ccc2C1=O
InChIInChI=1S/C15H15NO2/c1-3-7-15(10-16)8-6-11-9-12(18-2)4-5-13(11)14(15)17/h3-5,9H,1,6-8H2,2H3
InChIKeyGRHVAHKIIMJJLC-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.91
Rot. Bonds3

About 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carbonitrile

6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carbonitrile (PubChem CID 70610370) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carbonitrile
PubChem CID70610370
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carbonitrile
SMILESC=CCC1(C#N)CCc2cc(OC)ccc2C1=O
InChIInChI=1S/C15H15NO2/c1-3-7-15(10-16)8-6-11-9-12(18-2)4-5-13(11)14(15)17/h3-5,9H,1,6-8H2,2H3
InChIKeyGRHVAHKIIMJJLC-UHFFFAOYSA-N
XLogP2.91
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.91
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

prop-2-enyl 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carboxylate
CID 101410049
2,2-bis(hydroxymethyl)-6-methoxy-3,4-dihydronaphthalen-1-one
CID 102026561
2-butyl-5-methoxy-2-prop-2-enyl-3H-inden-1-one
CID 12045757
6-methoxy-2-[(4-methoxyphenyl)methyl]-2-(2-phenylethynyl)-3,4-dihydronaphthalen-1-one
CID 102033872
2-butyl-2-ethenyl-6-methoxy-3,4-dihydronaphthalen-1-one
CID 89098107
1-(cyanomethyl)-5-methoxy-2,3-dihydroindene-1-carbonitrile
CID 12938512
ethene;5-methoxyspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
CID 161055612
7-methoxy-9a-prop-2-enyl-2,9-dihydro-1H-xanthen-3-one
CID 102114513
(2S)-2-ethynyl-5-methoxy-2-(2-methylprop-2-enyl)-3H-inden-1-one
CID 134951458
5-methoxy-2,2-dimethyl-3H-inden-1-one
CID 10330158
5,6-bis(chloromethyl)-6'-methoxyspiro[1,3-dihydroindene-2,2'-3,4-dihydronaphthalene]-1'-one
CID 132563408
ethyl 2-(2-ethyl-6-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate
CID 71062915

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carbonitrile?
The IUPAC name of 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carbonitrile (CID 70610370) is 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carbonitrile.
What is the SMILES notation for 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carbonitrile?
The canonical SMILES for 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carbonitrile is C=CCC1(C#N)CCc2cc(OC)ccc2C1=O.
What is the InChIKey of 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carbonitrile?
The InChIKey is GRHVAHKIIMJJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-3-7-15(10-16)8-6-11-9-12(18-2)4-5-13(11)14(15)17/h3-5,9H,1,6-8H2,2H3.
What are the key properties of 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carbonitrile?
6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carbonitrile has a molecular weight of 241.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carbonitrile is sourced from PubChem (CID 70610370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).