tricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaen-4-amine

C10H7N — CID 172543836

IUPACtricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaen-4-amine
SMILESNc1cc2c3cccc-3c-2c1
InChIInChI=1S/C10H7N/c11-6-4-9-7-2-1-3-8(7)10(9)5-6/h1-5H,11H2
InChIKeyXDQPXWAJLYOOIA-UHFFFAOYSA-N
MW141.17 g/mol
LogP2.35
Rot. Bonds

About tricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaen-4-amine

tricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaen-4-amine (PubChem CID 172543836) has the molecular formula C10H7N and a molecular weight of 141.17 g/mol. Its IUPAC name is tricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaen-4-amine.

Molecular Properties

Compound Nametricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaen-4-amine
PubChem CID172543836
Molecular FormulaC10H7N
Molecular Weight141.17 g/mol
Exact Mass141.06
IUPAC Nametricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaen-4-amine
SMILESNc1cc2c3cccc-3c-2c1
InChIInChI=1S/C10H7N/c11-6-4-9-7-2-1-3-8(7)10(9)5-6/h1-5H,11H2
InChIKeyXDQPXWAJLYOOIA-UHFFFAOYSA-N
XLogP2.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaen-4-amine?
The IUPAC name of tricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaen-4-amine (CID 172543836) is tricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaen-4-amine.
What is the SMILES notation for tricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaen-4-amine?
The canonical SMILES for tricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaen-4-amine is Nc1cc2c3cccc-3c-2c1.
What is the InChIKey of tricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaen-4-amine?
The InChIKey is XDQPXWAJLYOOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N/c11-6-4-9-7-2-1-3-8(7)10(9)5-6/h1-5H,11H2.
What are the key properties of tricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaen-4-amine?
tricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaen-4-amine has a molecular weight of 141.17 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaen-4-amine is sourced from PubChem (CID 172543836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).