5-methoxy-3,4-dihydronaphthalene-2-carbonitrile

C12H11NO — CID 10845215

IUPAC5-methoxy-3,4-dihydronaphthalene-2-carbonitrile
SMILESCOc1cccc2c1CCC(C#N)=C2
InChIInChI=1S/C12H11NO/c1-14-12-4-2-3-10-7-9(8-13)5-6-11(10)12/h2-4,7H,5-6H2,1H3
InChIKeyUIRBTYLHDFGCBO-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.55
Rot. Bonds1

About 5-methoxy-3,4-dihydronaphthalene-2-carbonitrile

5-methoxy-3,4-dihydronaphthalene-2-carbonitrile (PubChem CID 10845215) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 5-methoxy-3,4-dihydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name5-methoxy-3,4-dihydronaphthalene-2-carbonitrile
PubChem CID10845215
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name5-methoxy-3,4-dihydronaphthalene-2-carbonitrile
SMILESCOc1cccc2c1CCC(C#N)=C2
InChIInChI=1S/C12H11NO/c1-14-12-4-2-3-10-7-9(8-13)5-6-11(10)12/h2-4,7H,5-6H2,1H3
InChIKeyUIRBTYLHDFGCBO-UHFFFAOYSA-N
XLogP2.55
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3,4-dihydronaphthalene-2-carbonitrile?
The IUPAC name of 5-methoxy-3,4-dihydronaphthalene-2-carbonitrile (CID 10845215) is 5-methoxy-3,4-dihydronaphthalene-2-carbonitrile.
What is the SMILES notation for 5-methoxy-3,4-dihydronaphthalene-2-carbonitrile?
The canonical SMILES for 5-methoxy-3,4-dihydronaphthalene-2-carbonitrile is COc1cccc2c1CCC(C#N)=C2.
What is the InChIKey of 5-methoxy-3,4-dihydronaphthalene-2-carbonitrile?
The InChIKey is UIRBTYLHDFGCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-14-12-4-2-3-10-7-9(8-13)5-6-11(10)12/h2-4,7H,5-6H2,1H3.
What are the key properties of 5-methoxy-3,4-dihydronaphthalene-2-carbonitrile?
5-methoxy-3,4-dihydronaphthalene-2-carbonitrile has a molecular weight of 185.23 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3,4-dihydronaphthalene-2-carbonitrile is sourced from PubChem (CID 10845215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).