6,7-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene

C13H13NO — CID 23557927

IUPAC6,7-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene
SMILESCc1nc2cccc3c2c(c1C)CCO3
InChIInChI=1S/C13H13NO/c1-8-9(2)14-11-4-3-5-12-13(11)10(8)6-7-15-12/h3-5H,6-7H2,1-2H3
InChIKeyJWTUXTPWTXFSRA-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.79
Rot. Bonds

About 6,7-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene

6,7-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene (PubChem CID 23557927) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 6,7-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene.

Molecular Properties

Compound Name6,7-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene
PubChem CID23557927
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name6,7-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene
SMILESCc1nc2cccc3c2c(c1C)CCO3
InChIInChI=1S/C13H13NO/c1-8-9(2)14-11-4-3-5-12-13(11)10(8)6-7-15-12/h3-5H,6-7H2,1-2H3
InChIKeyJWTUXTPWTXFSRA-UHFFFAOYSA-N
XLogP2.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,7-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene with MolForge

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Related Compounds

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CID 134957315
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CID 67756520
3,4-dimethyl-6-thia-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene
CID 23557929
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CID 23557922
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CID 68560454
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7-methyl-2,3,5,6-tetrahydro-1,4-benzodioxocine
CID 170038060
3,4,5-trifluoro-2-methylquinoline
CID 54570448
2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole
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1-(2,3-dihydro-1-benzofuran-4-yl)-N,N-dimethylmethanamine
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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene?
The IUPAC name of 6,7-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene (CID 23557927) is 6,7-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene.
What is the SMILES notation for 6,7-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene?
The canonical SMILES for 6,7-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene is Cc1nc2cccc3c2c(c1C)CCO3.
What is the InChIKey of 6,7-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene?
The InChIKey is JWTUXTPWTXFSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-8-9(2)14-11-4-3-5-12-13(11)10(8)6-7-15-12/h3-5H,6-7H2,1-2H3.
What are the key properties of 6,7-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene?
6,7-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene has a molecular weight of 199.25 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene is sourced from PubChem (CID 23557927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).