9-methyl-2-azatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene

C15H13N — CID 143539678

IUPAC9-methyl-2-azatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene
SMILESCC1=c2ccccc2=NC23CC2C=CC=C13
InChIInChI=1S/C15H13N/c1-10-12-6-2-3-8-14(12)16-15-9-11(15)5-4-7-13(10)15/h2-8,11H,9H2,1H3
InChIKeyQHQGYVCXYFOQOJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.75
Rot. Bonds

About 9-methyl-2-azatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene

9-methyl-2-azatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene (PubChem CID 143539678) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 9-methyl-2-azatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene.

Molecular Properties

Compound Name9-methyl-2-azatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene
PubChem CID143539678
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name9-methyl-2-azatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene
SMILESCC1=c2ccccc2=NC23CC2C=CC=C13
InChIInChI=1S/C15H13N/c1-10-12-6-2-3-8-14(12)16-15-9-11(15)5-4-7-13(10)15/h2-8,11H,9H2,1H3
InChIKeyQHQGYVCXYFOQOJ-UHFFFAOYSA-N
XLogP1.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-methyl-2-azatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene with MolForge

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Related Compounds

1-Ethyl-3,4-dimethyl-2-azabicyclo[4.1.0]hepta-2,4-diene
CID 123975793
3-Ethyl-7a,8-dihydrocyclopropa[i]quinoline
CID 142181674
7a,8-Dihydrocyclopropa[i]quinoline;ethane
CID 142834020
3-Methyl-7a,8-dihydrocyclopropa[i]quinoline
CID 143358191
9-Methyl-2-azatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene;hydrate
CID 143539677
4a-methyl-4H-acridine
CID 144475792
6-Ethyl-7a,8-dihydrocyclopropa[i]quinoline
CID 144804668
2,6-Diethyl-7-azabicyclo[4.1.0]hepta-1(7),2,4-triene
CID 85885264

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-azatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene?
The IUPAC name of 9-methyl-2-azatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene (CID 143539678) is 9-methyl-2-azatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene.
What is the SMILES notation for 9-methyl-2-azatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene?
The canonical SMILES for 9-methyl-2-azatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene is CC1=c2ccccc2=NC23CC2C=CC=C13.
What is the InChIKey of 9-methyl-2-azatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene?
The InChIKey is QHQGYVCXYFOQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-10-12-6-2-3-8-14(12)16-15-9-11(15)5-4-7-13(10)15/h2-8,11H,9H2,1H3.
What are the key properties of 9-methyl-2-azatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene?
9-methyl-2-azatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene has a molecular weight of 207.28 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-azatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene is sourced from PubChem (CID 143539678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).