5-azatricyclo[4.3.1.03,8]decan-4-one

C9H13NO — CID 13283208

IUPAC5-azatricyclo[4.3.1.03,8]decan-4-one
SMILESO=C1NC2CC3CC(C2)C1C3
InChIInChI=1S/C9H13NO/c11-9-8-3-5-1-6(8)4-7(2-5)10-9/h5-8H,1-4H2,(H,10,11)
InChIKeyVVUBTAJDTRGQFF-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.92
Rot. Bonds

About 5-azatricyclo[4.3.1.03,8]decan-4-one

5-azatricyclo[4.3.1.03,8]decan-4-one (PubChem CID 13283208) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-azatricyclo[4.3.1.03,8]decan-4-one.

Molecular Properties

Compound Name5-azatricyclo[4.3.1.03,8]decan-4-one
PubChem CID13283208
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name5-azatricyclo[4.3.1.03,8]decan-4-one
SMILESO=C1NC2CC3CC(C2)C1C3
InChIInChI=1S/C9H13NO/c11-9-8-3-5-1-6(8)4-7(2-5)10-9/h5-8H,1-4H2,(H,10,11)
InChIKeyVVUBTAJDTRGQFF-UHFFFAOYSA-N
XLogP0.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-azatricyclo[4.3.1.03,8]decan-4-one?
The IUPAC name of 5-azatricyclo[4.3.1.03,8]decan-4-one (CID 13283208) is 5-azatricyclo[4.3.1.03,8]decan-4-one.
What is the SMILES notation for 5-azatricyclo[4.3.1.03,8]decan-4-one?
The canonical SMILES for 5-azatricyclo[4.3.1.03,8]decan-4-one is O=C1NC2CC3CC(C2)C1C3.
What is the InChIKey of 5-azatricyclo[4.3.1.03,8]decan-4-one?
The InChIKey is VVUBTAJDTRGQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c11-9-8-3-5-1-6(8)4-7(2-5)10-9/h5-8H,1-4H2,(H,10,11).
What are the key properties of 5-azatricyclo[4.3.1.03,8]decan-4-one?
5-azatricyclo[4.3.1.03,8]decan-4-one has a molecular weight of 151.21 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azatricyclo[4.3.1.03,8]decan-4-one is sourced from PubChem (CID 13283208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).