4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene

C10H11N — CID 15498114

IUPAC4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene
SMILESc1cc2c3c(c1)CCN3CC2
InChIInChI=1S/C10H11N/c1-2-8-4-6-11-7-5-9(3-1)10(8)11/h1-3H,4-7H2
InChIKeyNNPDYSRXPOFUPW-UHFFFAOYSA-N
MW145.21 g/mol
LogP1.61
Rot. Bonds

About 4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene

4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene (PubChem CID 15498114) has the molecular formula C10H11N and a molecular weight of 145.21 g/mol. Its IUPAC name is 4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene.

Molecular Properties

Compound Name4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene
PubChem CID15498114
Molecular FormulaC10H11N
Molecular Weight145.21 g/mol
Exact Mass145.09
IUPAC Name4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene
SMILESc1cc2c3c(c1)CCN3CC2
InChIInChI=1S/C10H11N/c1-2-8-4-6-11-7-5-9(3-1)10(8)11/h1-3H,4-7H2
InChIKeyNNPDYSRXPOFUPW-UHFFFAOYSA-N
XLogP1.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

19-(8-azapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,11(16),12,14,17-heptaen-19-yl)-8-azapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,11(16),12,14,17-heptaene
CID 139204585
1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-ylmethanamine
CID 82372261
4,9-diazatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene
CID 102159372
8-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene
CID 177102462
1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene
CID 53338920
1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene
CID 70611238
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CID 115935111
8-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,11(15),12-tetraene
CID 15231978
1-methyl-7-piperazin-1-yl-2,3-dihydroindole
CID 82614660
2-phenyl-3,4-dihydro-1H-isoquinoline
CID 11321753
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Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene?
The IUPAC name of 4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene (CID 15498114) is 4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene.
What is the SMILES notation for 4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene?
The canonical SMILES for 4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene is c1cc2c3c(c1)CCN3CC2.
What is the InChIKey of 4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene?
The InChIKey is NNPDYSRXPOFUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-2-8-4-6-11-7-5-9(3-1)10(8)11/h1-3H,4-7H2.
What are the key properties of 4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene?
4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene has a molecular weight of 145.21 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene is sourced from PubChem (CID 15498114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).