3-methyl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C11H8N2O — CID 155076323

IUPAC3-methyl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1nccc2oc3cnccc3c12
InChIInChI=1S/C11H8N2O/c1-7-11-8-2-4-12-6-10(8)14-9(11)3-5-13-7/h2-6H,1H3
InChIKeyXVTTVKFFPJZCHK-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.68
Rot. Bonds

About 3-methyl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

3-methyl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 155076323) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-methyl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name3-methyl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID155076323
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name3-methyl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1nccc2oc3cnccc3c12
InChIInChI=1S/C11H8N2O/c1-7-11-8-2-4-12-6-10(8)14-9(11)3-5-13-7/h2-6H,1H3
InChIKeyXVTTVKFFPJZCHK-UHFFFAOYSA-N
XLogP2.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Pyridyl)benzoxazole
CID 16803
4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
example 184 [WO2014186035]
CID 86280679
2-(1-Azabicyclo[2.2.2]oct-2-en-3-yl)furo[3,2-b]pyridine
CID 10823129
2-(1-Methylpyrrolidin-2-yl)furo[3,2-b]pyridine
CID 19597631
2-(Pyridin-4-yl)-1,3-benzoxazole
CID 16804
2-(4-Methoxyphenyl)-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine
CID 24818798
5-(2-methyl-2H-imidazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine
CID 168275880
6-Methyl-2-pyridin-3-yl-1,3-benzoxazole
CID 829823
2-((S)-1-Methyl-pyrrolidin-2-yl)-furo[3,2-b]pyridine
CID 9882021
2-((R)-1-Methyl-pyrrolidin-2-yl)-furo[3,2-b]pyridine
CID 44324548
4-(5-Pyridin-4-yl-furo[2,3-c]pyridin-2-yl)-piperidine-1-carboxylic acid tert-butyl ester
CID 71736572

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 3-methyl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 155076323) is 3-methyl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 3-methyl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 3-methyl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is Cc1nccc2oc3cnccc3c12.
What is the InChIKey of 3-methyl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is XVTTVKFFPJZCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-7-11-8-2-4-12-6-10(8)14-9(11)3-5-13-7/h2-6H,1H3.
What are the key properties of 3-methyl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
3-methyl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 184.20 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 155076323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).