5-ethyl-11-methyl-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene

C12H12N2O — CID 91385556

IUPAC5-ethyl-11-methyl-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene
SMILESCCc1cc2cc3[nH]c(C)cc3nc2o1
InChIInChI=1S/C12H12N2O/c1-3-9-5-8-6-11-10(4-7(2)13-11)14-12(8)15-9/h4-6,13H,3H2,1-2H3
InChIKeyOIIOGNBXUHYLEF-UHFFFAOYSA-N
MW200.24 g/mol
LogP3.18
Rot. Bonds1

About 5-ethyl-11-methyl-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene

5-ethyl-11-methyl-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene (PubChem CID 91385556) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-ethyl-11-methyl-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene.

Molecular Properties

Compound Name5-ethyl-11-methyl-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene
PubChem CID91385556
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name5-ethyl-11-methyl-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene
SMILESCCc1cc2cc3[nH]c(C)cc3nc2o1
InChIInChI=1S/C12H12N2O/c1-3-9-5-8-6-11-10(4-7(2)13-11)14-12(8)15-9/h4-6,13H,3H2,1-2H3
InChIKeyOIIOGNBXUHYLEF-UHFFFAOYSA-N
XLogP3.18
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-iodo-11-propan-2-yl-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene
CID 70832206
ethane;2-methyl-1H-pyrrolo[3,2-b]pyridin-5-amine
CID 156751122
6-ethyl-2-methyl-1H-pyrrolo[3,2-c]pyridine
CID 67901511
ethane;5-ethyl-3-methyl-2-propan-2-ylfuran
CID 155737661
6-ethyl-2-methyl-3H-benzo[f]benzimidazole
CID 90182012
2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde
CID 118078544
2-methyl-5-pyrimidin-2-yl-1H-pyrrolo[3,2-b]pyridine
CID 175716127
2-bromo-5-methyl-4H-furo[3,2-b]pyrrole
CID 143605008
2,6-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane
CID 156750914
3,5-diethyl-2-methylfuran;ethane
CID 143641869
5,6-dichloro-2-(2-ethylfuran-3-yl)-1H-benzimidazole
CID 114103153
6-amino-5-ethyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 115015321

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-11-methyl-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene?
The IUPAC name of 5-ethyl-11-methyl-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene (CID 91385556) is 5-ethyl-11-methyl-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene.
What is the SMILES notation for 5-ethyl-11-methyl-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene?
The canonical SMILES for 5-ethyl-11-methyl-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene is CCc1cc2cc3[nH]c(C)cc3nc2o1.
What is the InChIKey of 5-ethyl-11-methyl-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene?
The InChIKey is OIIOGNBXUHYLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-3-9-5-8-6-11-10(4-7(2)13-11)14-12(8)15-9/h4-6,13H,3H2,1-2H3.
What are the key properties of 5-ethyl-11-methyl-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene?
5-ethyl-11-methyl-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene has a molecular weight of 200.24 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-11-methyl-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene is sourced from PubChem (CID 91385556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).