7-methyl-7-azatetracyclo[8.3.0.02,12.04,8]trideca-2,4(8),10,12-tetraene

C13H13N — CID 126635979

IUPAC7-methyl-7-azatetracyclo[8.3.0.02,12.04,8]trideca-2,4(8),10,12-tetraene
SMILESCN1CCC2=C1CC1=CC3=CC1C3=C2
InChIInChI=1S/C13H13N/c1-14-3-2-8-5-11-9-4-10(7-13(8)14)12(11)6-9/h4-6,12H,2-3,7H2,1H3
InChIKeyGTNJIOJYUQZILA-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.40
Rot. Bonds

About 7-methyl-7-azatetracyclo[8.3.0.02,12.04,8]trideca-2,4(8),10,12-tetraene

7-methyl-7-azatetracyclo[8.3.0.02,12.04,8]trideca-2,4(8),10,12-tetraene (PubChem CID 126635979) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 7-methyl-7-azatetracyclo[8.3.0.02,12.04,8]trideca-2,4(8),10,12-tetraene.

Molecular Properties

Compound Name7-methyl-7-azatetracyclo[8.3.0.02,12.04,8]trideca-2,4(8),10,12-tetraene
PubChem CID126635979
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name7-methyl-7-azatetracyclo[8.3.0.02,12.04,8]trideca-2,4(8),10,12-tetraene
SMILESCN1CCC2=C1CC1=CC3=CC1C3=C2
InChIInChI=1S/C13H13N/c1-14-3-2-8-5-11-9-4-10(7-13(8)14)12(11)6-9/h4-6,12H,2-3,7H2,1H3
InChIKeyGTNJIOJYUQZILA-UHFFFAOYSA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-7-azatetracyclo[8.3.0.02,12.04,8]trideca-2,4(8),10,12-tetraene?
The IUPAC name of 7-methyl-7-azatetracyclo[8.3.0.02,12.04,8]trideca-2,4(8),10,12-tetraene (CID 126635979) is 7-methyl-7-azatetracyclo[8.3.0.02,12.04,8]trideca-2,4(8),10,12-tetraene.
What is the SMILES notation for 7-methyl-7-azatetracyclo[8.3.0.02,12.04,8]trideca-2,4(8),10,12-tetraene?
The canonical SMILES for 7-methyl-7-azatetracyclo[8.3.0.02,12.04,8]trideca-2,4(8),10,12-tetraene is CN1CCC2=C1CC1=CC3=CC1C3=C2.
What is the InChIKey of 7-methyl-7-azatetracyclo[8.3.0.02,12.04,8]trideca-2,4(8),10,12-tetraene?
The InChIKey is GTNJIOJYUQZILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-14-3-2-8-5-11-9-4-10(7-13(8)14)12(11)6-9/h4-6,12H,2-3,7H2,1H3.
What are the key properties of 7-methyl-7-azatetracyclo[8.3.0.02,12.04,8]trideca-2,4(8),10,12-tetraene?
7-methyl-7-azatetracyclo[8.3.0.02,12.04,8]trideca-2,4(8),10,12-tetraene has a molecular weight of 183.25 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-7-azatetracyclo[8.3.0.02,12.04,8]trideca-2,4(8),10,12-tetraene is sourced from PubChem (CID 126635979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).