bicyclo[2.2.0]hexa-1,3,5-triene;ethanamine

C8H11N — CID 22256298

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;ethanamine
SMILESCCN.c1cc2ccc1-2
InChIInChI=1S/C6H4.C2H7N/c1-2-6-4-3-5(1)6;1-2-3/h1-4H;2-3H2,1H3
InChIKeyZTQGFWJXYFYVOS-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.63
Rot. Bonds

About bicyclo[2.2.0]hexa-1,3,5-triene;ethanamine

bicyclo[2.2.0]hexa-1,3,5-triene;ethanamine (PubChem CID 22256298) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;ethanamine.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;ethanamine
PubChem CID22256298
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;ethanamine
SMILESCCN.c1cc2ccc1-2
InChIInChI=1S/C6H4.C2H7N/c1-2-6-4-3-5(1)6;1-2-3/h1-4H;2-3H2,1H3
InChIKeyZTQGFWJXYFYVOS-UHFFFAOYSA-N
XLogP1.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;ethanamine?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;ethanamine (CID 22256298) is bicyclo[2.2.0]hexa-1,3,5-triene;ethanamine.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;ethanamine?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;ethanamine is CCN.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;ethanamine?
The InChIKey is ZTQGFWJXYFYVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.C2H7N/c1-2-6-4-3-5(1)6;1-2-3/h1-4H;2-3H2,1H3.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;ethanamine?
bicyclo[2.2.0]hexa-1,3,5-triene;ethanamine has a molecular weight of 121.18 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;ethanamine is sourced from PubChem (CID 22256298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).