7-azatetracyclo[8.4.0.02,7.03,5]tetradeca-1(14),10,12-triene

C13H15N — CID 105441719

IUPAC7-azatetracyclo[8.4.0.02,7.03,5]tetradeca-1(14),10,12-triene
SMILESc1ccc2c(c1)CCN1CC3CC3C21
InChIInChI=1S/C13H15N/c1-2-4-11-9(3-1)5-6-14-8-10-7-12(10)13(11)14/h1-4,10,12-13H,5-8H2
InChIKeyJMIPOUPZNDXKPA-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.24
Rot. Bonds

About 7-azatetracyclo[8.4.0.02,7.03,5]tetradeca-1(14),10,12-triene

7-azatetracyclo[8.4.0.02,7.03,5]tetradeca-1(14),10,12-triene (PubChem CID 105441719) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 7-azatetracyclo[8.4.0.02,7.03,5]tetradeca-1(14),10,12-triene.

Molecular Properties

Compound Name7-azatetracyclo[8.4.0.02,7.03,5]tetradeca-1(14),10,12-triene
PubChem CID105441719
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name7-azatetracyclo[8.4.0.02,7.03,5]tetradeca-1(14),10,12-triene
SMILESc1ccc2c(c1)CCN1CC3CC3C21
InChIInChI=1S/C13H15N/c1-2-4-11-9(3-1)5-6-14-8-10-7-12(10)13(11)14/h1-4,10,12-13H,5-8H2
InChIKeyJMIPOUPZNDXKPA-UHFFFAOYSA-N
XLogP2.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 169035410
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CID 11098751
4,6,7,11b-tetrahydro-3H-benzo[a]quinolizin-2-ol
CID 168764237
2-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CID 135003203
(2R,11bR)-2-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CID 86337762
(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
CID 12940176
(2aS,8bR)-1-methyl-2a,3,4,8b-tetrahydro-2H-naphtho[1,2-b]azete
CID 165353266
(1R,2R)-1-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 14476580
(1R,2R)-11-methyl-14-aza-11-azoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-3,5,7,17,19,21-hexaene bromide
CID 11014501
12-(benzenesulfonyl)-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine
CID 14307720
(8aR,12aS,13aR)-12-(benzenesulfonyl)-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine
CID 57113275
(5S)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-amine
CID 141299186

Frequently Asked Questions

What is the IUPAC name of 7-azatetracyclo[8.4.0.02,7.03,5]tetradeca-1(14),10,12-triene?
The IUPAC name of 7-azatetracyclo[8.4.0.02,7.03,5]tetradeca-1(14),10,12-triene (CID 105441719) is 7-azatetracyclo[8.4.0.02,7.03,5]tetradeca-1(14),10,12-triene.
What is the SMILES notation for 7-azatetracyclo[8.4.0.02,7.03,5]tetradeca-1(14),10,12-triene?
The canonical SMILES for 7-azatetracyclo[8.4.0.02,7.03,5]tetradeca-1(14),10,12-triene is c1ccc2c(c1)CCN1CC3CC3C21.
What is the InChIKey of 7-azatetracyclo[8.4.0.02,7.03,5]tetradeca-1(14),10,12-triene?
The InChIKey is JMIPOUPZNDXKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-2-4-11-9(3-1)5-6-14-8-10-7-12(10)13(11)14/h1-4,10,12-13H,5-8H2.
What are the key properties of 7-azatetracyclo[8.4.0.02,7.03,5]tetradeca-1(14),10,12-triene?
7-azatetracyclo[8.4.0.02,7.03,5]tetradeca-1(14),10,12-triene has a molecular weight of 185.27 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azatetracyclo[8.4.0.02,7.03,5]tetradeca-1(14),10,12-triene is sourced from PubChem (CID 105441719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).