13-methyl-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene

C11H12N2O — CID 155806803

IUPAC13-methyl-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene
SMILESCn1ccc2c1-c1oncc1CCC2
InChIInChI=1S/C11H12N2O/c1-13-6-5-8-3-2-4-9-7-12-14-11(9)10(8)13/h5-7H,2-4H2,1H3
InChIKeyVYVBFKREAORCOV-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.17
Rot. Bonds

About 13-methyl-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene

13-methyl-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene (PubChem CID 155806803) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 13-methyl-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene.

Molecular Properties

Compound Name13-methyl-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene
PubChem CID155806803
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name13-methyl-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene
SMILESCn1ccc2c1-c1oncc1CCC2
InChIInChI=1S/C11H12N2O/c1-13-6-5-8-3-2-4-9-7-12-14-11(9)10(8)13/h5-7H,2-4H2,1H3
InChIKeyVYVBFKREAORCOV-UHFFFAOYSA-N
XLogP2.17
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene?
The IUPAC name of 13-methyl-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene (CID 155806803) is 13-methyl-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene.
What is the SMILES notation for 13-methyl-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene?
The canonical SMILES for 13-methyl-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene is Cn1ccc2c1-c1oncc1CCC2.
What is the InChIKey of 13-methyl-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene?
The InChIKey is VYVBFKREAORCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-13-6-5-8-3-2-4-9-7-12-14-11(9)10(8)13/h5-7H,2-4H2,1H3.
What are the key properties of 13-methyl-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene?
13-methyl-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene has a molecular weight of 188.23 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene is sourced from PubChem (CID 155806803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).