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

C9H13NO — CID 162407293

IUPAC9-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
SMILESCC1CC2CC1C1ON=CC21
InChIInChI=1S/C9H13NO/c1-5-2-6-3-7(5)9-8(6)4-10-11-9/h4-9H,2-3H2,1H3
InChIKeyRCDFWAIKJOXUGS-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.66
Rot. Bonds

About 9-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene

9-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene (PubChem CID 162407293) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 9-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene.

Molecular Properties

Compound Name9-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
PubChem CID162407293
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name9-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
SMILESCC1CC2CC1C1ON=CC21
InChIInChI=1S/C9H13NO/c1-5-2-6-3-7(5)9-8(6)4-10-11-9/h4-9H,2-3H2,1H3
InChIKeyRCDFWAIKJOXUGS-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene?
The IUPAC name of 9-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene (CID 162407293) is 9-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene.
What is the SMILES notation for 9-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene?
The canonical SMILES for 9-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene is CC1CC2CC1C1ON=CC21.
What is the InChIKey of 9-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene?
The InChIKey is RCDFWAIKJOXUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-5-2-6-3-7(5)9-8(6)4-10-11-9/h4-9H,2-3H2,1H3.
What are the key properties of 9-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene?
9-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene has a molecular weight of 151.21 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene is sourced from PubChem (CID 162407293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).