5-azatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene

C14H13N — CID 85408520

IUPAC5-azatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene
SMILESc1ccc2c(c1)C1Cc3[nH]ccc3C2C1
InChIInChI=1S/C14H13N/c1-2-4-11-10(3-1)9-7-13(11)12-5-6-15-14(12)8-9/h1-6,9,13,15H,7-8H2
InChIKeyKETBOINIAHYBCB-UHFFFAOYSA-N
MW195.27 g/mol
LogP3.19
Rot. Bonds

About 5-azatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene

5-azatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene (PubChem CID 85408520) has the molecular formula C14H13N and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-azatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene.

Molecular Properties

Compound Name5-azatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene
PubChem CID85408520
Molecular FormulaC14H13N
Molecular Weight195.27 g/mol
Exact Mass195.10
IUPAC Name5-azatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene
SMILESc1ccc2c(c1)C1Cc3[nH]ccc3C2C1
InChIInChI=1S/C14H13N/c1-2-4-11-10(3-1)9-7-13(11)12-5-6-15-14(12)8-9/h1-6,9,13,15H,7-8H2
InChIKeyKETBOINIAHYBCB-UHFFFAOYSA-N
XLogP3.19
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 5-azatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene with MolForge

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Related Compounds

tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one
CID 575764
10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-9-one;ethane
CID 142181179
4-[(E)-2-phenylethenyl]-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene
CID 102258773
(1S,8R)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
CID 11232816
tricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 582301
7-phenyl-1,6,7,8-tetrahydroquinoline-4,5-dione
CID 18317774
tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;hydrochloride
CID 158531622
ethane;tricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 91342553
(1S,3R)-3-(1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 24887103
(4S,6R)-5-ethyl-4,6-dimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 125062456
(1R,8R,10S,13R)-tetracyclo[6.6.1.110,13.02,7]hexadeca-2,4,6-triene-9,14-dione
CID 98557806
(1S,9S)-tetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-one
CID 98115763

Frequently Asked Questions

What is the IUPAC name of 5-azatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene?
The IUPAC name of 5-azatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene (CID 85408520) is 5-azatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene.
What is the SMILES notation for 5-azatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene?
The canonical SMILES for 5-azatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene is c1ccc2c(c1)C1Cc3[nH]ccc3C2C1.
What is the InChIKey of 5-azatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene?
The InChIKey is KETBOINIAHYBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N/c1-2-4-11-10(3-1)9-7-13(11)12-5-6-15-14(12)8-9/h1-6,9,13,15H,7-8H2.
What are the key properties of 5-azatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene?
5-azatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene has a molecular weight of 195.27 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene is sourced from PubChem (CID 85408520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).