9-methyl-9-azabicyclo[4.2.1]nonan-2-one

C9H15NO — CID 14442490

IUPAC9-methyl-9-azabicyclo[4.2.1]nonan-2-one
SMILESCN1C2CCCC(=O)C1CC2
InChIInChI=1S/C9H15NO/c1-10-7-3-2-4-9(11)8(10)6-5-7/h7-8H,2-6H2,1H3
InChIKeyNSXLLMSGQVUQOG-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.20
Rot. Bonds

About 9-methyl-9-azabicyclo[4.2.1]nonan-2-one

9-methyl-9-azabicyclo[4.2.1]nonan-2-one (PubChem CID 14442490) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 9-methyl-9-azabicyclo[4.2.1]nonan-2-one.

Molecular Properties

Compound Name9-methyl-9-azabicyclo[4.2.1]nonan-2-one
PubChem CID14442490
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name9-methyl-9-azabicyclo[4.2.1]nonan-2-one
SMILESCN1C2CCCC(=O)C1CC2
InChIInChI=1S/C9H15NO/c1-10-7-3-2-4-9(11)8(10)6-5-7/h7-8H,2-6H2,1H3
InChIKeyNSXLLMSGQVUQOG-UHFFFAOYSA-N
XLogP1.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-9-azabicyclo[4.2.1]nonan-2-one?
The IUPAC name of 9-methyl-9-azabicyclo[4.2.1]nonan-2-one (CID 14442490) is 9-methyl-9-azabicyclo[4.2.1]nonan-2-one.
What is the SMILES notation for 9-methyl-9-azabicyclo[4.2.1]nonan-2-one?
The canonical SMILES for 9-methyl-9-azabicyclo[4.2.1]nonan-2-one is CN1C2CCCC(=O)C1CC2.
What is the InChIKey of 9-methyl-9-azabicyclo[4.2.1]nonan-2-one?
The InChIKey is NSXLLMSGQVUQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-10-7-3-2-4-9(11)8(10)6-5-7/h7-8H,2-6H2,1H3.
What are the key properties of 9-methyl-9-azabicyclo[4.2.1]nonan-2-one?
9-methyl-9-azabicyclo[4.2.1]nonan-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-9-azabicyclo[4.2.1]nonan-2-one is sourced from PubChem (CID 14442490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).