2-(4-methoxy-7-bicyclo[4.2.0]octa-3,5-dienylidene)ethanamine

C11H15NO — CID 54284065

IUPAC2-(4-methoxy-7-bicyclo[4.2.0]octa-3,5-dienylidene)ethanamine
SMILESCOC1=CCC2CC(=CCN)C2=C1
InChIInChI=1S/C11H15NO/c1-13-10-3-2-8-6-9(4-5-12)11(8)7-10/h3-4,7-8H,2,5-6,12H2,1H3
InChIKeyRSVOTCRADLSFNC-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.75
Rot. Bonds2

About 2-(4-methoxy-7-bicyclo[4.2.0]octa-3,5-dienylidene)ethanamine

2-(4-methoxy-7-bicyclo[4.2.0]octa-3,5-dienylidene)ethanamine (PubChem CID 54284065) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(4-methoxy-7-bicyclo[4.2.0]octa-3,5-dienylidene)ethanamine.

Molecular Properties

Compound Name2-(4-methoxy-7-bicyclo[4.2.0]octa-3,5-dienylidene)ethanamine
PubChem CID54284065
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-(4-methoxy-7-bicyclo[4.2.0]octa-3,5-dienylidene)ethanamine
SMILESCOC1=CCC2CC(=CCN)C2=C1
InChIInChI=1S/C11H15NO/c1-13-10-3-2-8-6-9(4-5-12)11(8)7-10/h3-4,7-8H,2,5-6,12H2,1H3
InChIKeyRSVOTCRADLSFNC-UHFFFAOYSA-N
XLogP1.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-7-bicyclo[4.2.0]octa-3,5-dienylidene)ethanamine?
The IUPAC name of 2-(4-methoxy-7-bicyclo[4.2.0]octa-3,5-dienylidene)ethanamine (CID 54284065) is 2-(4-methoxy-7-bicyclo[4.2.0]octa-3,5-dienylidene)ethanamine.
What is the SMILES notation for 2-(4-methoxy-7-bicyclo[4.2.0]octa-3,5-dienylidene)ethanamine?
The canonical SMILES for 2-(4-methoxy-7-bicyclo[4.2.0]octa-3,5-dienylidene)ethanamine is COC1=CCC2CC(=CCN)C2=C1.
What is the InChIKey of 2-(4-methoxy-7-bicyclo[4.2.0]octa-3,5-dienylidene)ethanamine?
The InChIKey is RSVOTCRADLSFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-13-10-3-2-8-6-9(4-5-12)11(8)7-10/h3-4,7-8H,2,5-6,12H2,1H3.
What are the key properties of 2-(4-methoxy-7-bicyclo[4.2.0]octa-3,5-dienylidene)ethanamine?
2-(4-methoxy-7-bicyclo[4.2.0]octa-3,5-dienylidene)ethanamine has a molecular weight of 177.25 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-7-bicyclo[4.2.0]octa-3,5-dienylidene)ethanamine is sourced from PubChem (CID 54284065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).