7-methyl-1-azatricyclo[4.4.0.02,8]dec-3-en-5-one

C10H13NO — CID 13438394

IUPAC7-methyl-1-azatricyclo[4.4.0.02,8]dec-3-en-5-one
SMILESCC1C2CCN3C2C=CC(=O)C13
InChIInChI=1S/C10H13NO/c1-6-7-4-5-11-8(7)2-3-9(12)10(6)11/h2-3,6-8,10H,4-5H2,1H3
InChIKeyXORAYWONKHFHHK-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.83
Rot. Bonds

About 7-methyl-1-azatricyclo[4.4.0.02,8]dec-3-en-5-one

7-methyl-1-azatricyclo[4.4.0.02,8]dec-3-en-5-one (PubChem CID 13438394) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 7-methyl-1-azatricyclo[4.4.0.02,8]dec-3-en-5-one.

Molecular Properties

Compound Name7-methyl-1-azatricyclo[4.4.0.02,8]dec-3-en-5-one
PubChem CID13438394
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name7-methyl-1-azatricyclo[4.4.0.02,8]dec-3-en-5-one
SMILESCC1C2CCN3C2C=CC(=O)C13
InChIInChI=1S/C10H13NO/c1-6-7-4-5-11-8(7)2-3-9(12)10(6)11/h2-3,6-8,10H,4-5H2,1H3
InChIKeyXORAYWONKHFHHK-UHFFFAOYSA-N
XLogP0.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-azatricyclo[4.4.0.02,8]dec-3-en-5-one?
The IUPAC name of 7-methyl-1-azatricyclo[4.4.0.02,8]dec-3-en-5-one (CID 13438394) is 7-methyl-1-azatricyclo[4.4.0.02,8]dec-3-en-5-one.
What is the SMILES notation for 7-methyl-1-azatricyclo[4.4.0.02,8]dec-3-en-5-one?
The canonical SMILES for 7-methyl-1-azatricyclo[4.4.0.02,8]dec-3-en-5-one is CC1C2CCN3C2C=CC(=O)C13.
What is the InChIKey of 7-methyl-1-azatricyclo[4.4.0.02,8]dec-3-en-5-one?
The InChIKey is XORAYWONKHFHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-6-7-4-5-11-8(7)2-3-9(12)10(6)11/h2-3,6-8,10H,4-5H2,1H3.
What are the key properties of 7-methyl-1-azatricyclo[4.4.0.02,8]dec-3-en-5-one?
7-methyl-1-azatricyclo[4.4.0.02,8]dec-3-en-5-one has a molecular weight of 163.22 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-azatricyclo[4.4.0.02,8]dec-3-en-5-one is sourced from PubChem (CID 13438394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).