6-methoxy-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene

C14H18N2O — CID 113303395

IUPAC6-methoxy-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene
SMILESCOc1cccn2c3c(nc12)CCCCCC3
InChIInChI=1S/C14H18N2O/c1-17-13-9-6-10-16-12-8-5-3-2-4-7-11(12)15-14(13)16/h6,9-10H,2-5,7-8H2,1H3
InChIKeyYJEKJKLKHVHFKO-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.00
Rot. Bonds1

About 6-methoxy-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene

6-methoxy-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene (PubChem CID 113303395) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-methoxy-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene.

Molecular Properties

Compound Name6-methoxy-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene
PubChem CID113303395
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name6-methoxy-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene
SMILESCOc1cccn2c3c(nc12)CCCCCC3
InChIInChI=1S/C14H18N2O/c1-17-13-9-6-10-16-12-8-5-3-2-4-7-11(12)15-14(13)16/h6,9-10H,2-5,7-8H2,1H3
InChIKeyYJEKJKLKHVHFKO-UHFFFAOYSA-N
XLogP3.00
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene?
The IUPAC name of 6-methoxy-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene (CID 113303395) is 6-methoxy-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene.
What is the SMILES notation for 6-methoxy-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene?
The canonical SMILES for 6-methoxy-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene is COc1cccn2c3c(nc12)CCCCCC3.
What is the InChIKey of 6-methoxy-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene?
The InChIKey is YJEKJKLKHVHFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-17-13-9-6-10-16-12-8-5-3-2-4-7-11(12)15-14(13)16/h6,9-10H,2-5,7-8H2,1H3.
What are the key properties of 6-methoxy-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene?
6-methoxy-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene has a molecular weight of 230.31 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene is sourced from PubChem (CID 113303395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).