4-azatricyclo[5.2.1.02,6]deca-2,5-diene

C9H11N — CID 71402091

IUPAC4-azatricyclo[5.2.1.02,6]deca-2,5-diene
SMILESc1[nH]cc2c1C1CCC2C1
InChIInChI=1S/C9H11N/c1-2-7-3-6(1)8-4-10-5-9(7)8/h4-7,10H,1-3H2
InChIKeyBCDNWNAVOFAINV-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.38
Rot. Bonds

About 4-azatricyclo[5.2.1.02,6]deca-2,5-diene

4-azatricyclo[5.2.1.02,6]deca-2,5-diene (PubChem CID 71402091) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 4-azatricyclo[5.2.1.02,6]deca-2,5-diene.

Molecular Properties

Compound Name4-azatricyclo[5.2.1.02,6]deca-2,5-diene
PubChem CID71402091
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name4-azatricyclo[5.2.1.02,6]deca-2,5-diene
SMILESc1[nH]cc2c1C1CCC2C1
InChIInChI=1S/C9H11N/c1-2-7-3-6(1)8-4-10-5-9(7)8/h4-7,10H,1-3H2
InChIKeyBCDNWNAVOFAINV-UHFFFAOYSA-N
XLogP2.38
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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4,7-Dihydro-2H-4,7-ethanoisoindole
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2,4,5,6-Tetrahydrocyclopenta[c]pyrrole
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3,4-bis(2-methylpropyl)-1H-pyrrole
CID 66831483
6,7-didehydro-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole
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(4,5,6,7-Tetrahydro-2H-isoindol-5-yl)methanamine
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Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[5.2.1.02,6]deca-2,5-diene?
The IUPAC name of 4-azatricyclo[5.2.1.02,6]deca-2,5-diene (CID 71402091) is 4-azatricyclo[5.2.1.02,6]deca-2,5-diene.
What is the SMILES notation for 4-azatricyclo[5.2.1.02,6]deca-2,5-diene?
The canonical SMILES for 4-azatricyclo[5.2.1.02,6]deca-2,5-diene is c1[nH]cc2c1C1CCC2C1.
What is the InChIKey of 4-azatricyclo[5.2.1.02,6]deca-2,5-diene?
The InChIKey is BCDNWNAVOFAINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-2-7-3-6(1)8-4-10-5-9(7)8/h4-7,10H,1-3H2.
What are the key properties of 4-azatricyclo[5.2.1.02,6]deca-2,5-diene?
4-azatricyclo[5.2.1.02,6]deca-2,5-diene has a molecular weight of 133.19 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[5.2.1.02,6]deca-2,5-diene is sourced from PubChem (CID 71402091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).