5-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene

C9H13NO — CID 12794218

IUPAC5-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
SMILESCC1=NOC2C3CCC(C3)C12
InChIInChI=1S/C9H13NO/c1-5-8-6-2-3-7(4-6)9(8)11-10-5/h6-9H,2-4H2,1H3
InChIKeyMOGAHUMTFBOGMZ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.81
Rot. Bonds

About 5-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene

5-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene (PubChem CID 12794218) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene.

Molecular Properties

Compound Name5-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
PubChem CID12794218
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name5-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
SMILESCC1=NOC2C3CCC(C3)C12
InChIInChI=1S/C9H13NO/c1-5-8-6-2-3-7(4-6)9(8)11-10-5/h6-9H,2-4H2,1H3
InChIKeyMOGAHUMTFBOGMZ-UHFFFAOYSA-N
XLogP1.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene?
The IUPAC name of 5-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene (CID 12794218) is 5-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene.
What is the SMILES notation for 5-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene?
The canonical SMILES for 5-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene is CC1=NOC2C3CCC(C3)C12.
What is the InChIKey of 5-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene?
The InChIKey is MOGAHUMTFBOGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-5-8-6-2-3-7(4-6)9(8)11-10-5/h6-9H,2-4H2,1H3.
What are the key properties of 5-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene?
5-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene has a molecular weight of 151.21 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene is sourced from PubChem (CID 12794218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).