2-propan-2-yl-2-azabicyclo[3.3.1]nonan-7-one

C11H19NO — CID 122592785

IUPAC2-propan-2-yl-2-azabicyclo[3.3.1]nonan-7-one
SMILESCC(C)N1CCC2CC(=O)CC1C2
InChIInChI=1S/C11H19NO/c1-8(2)12-4-3-9-5-10(12)7-11(13)6-9/h8-10H,3-7H2,1-2H3
InChIKeySVZZSVFAKPECTN-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.84
Rot. Bonds1

About 2-propan-2-yl-2-azabicyclo[3.3.1]nonan-7-one

2-propan-2-yl-2-azabicyclo[3.3.1]nonan-7-one (PubChem CID 122592785) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-propan-2-yl-2-azabicyclo[3.3.1]nonan-7-one.

Molecular Properties

Compound Name2-propan-2-yl-2-azabicyclo[3.3.1]nonan-7-one
PubChem CID122592785
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-propan-2-yl-2-azabicyclo[3.3.1]nonan-7-one
SMILESCC(C)N1CCC2CC(=O)CC1C2
InChIInChI=1S/C11H19NO/c1-8(2)12-4-3-9-5-10(12)7-11(13)6-9/h8-10H,3-7H2,1-2H3
InChIKeySVZZSVFAKPECTN-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2-azabicyclo[3.3.1]nonan-7-one?
The IUPAC name of 2-propan-2-yl-2-azabicyclo[3.3.1]nonan-7-one (CID 122592785) is 2-propan-2-yl-2-azabicyclo[3.3.1]nonan-7-one.
What is the SMILES notation for 2-propan-2-yl-2-azabicyclo[3.3.1]nonan-7-one?
The canonical SMILES for 2-propan-2-yl-2-azabicyclo[3.3.1]nonan-7-one is CC(C)N1CCC2CC(=O)CC1C2.
What is the InChIKey of 2-propan-2-yl-2-azabicyclo[3.3.1]nonan-7-one?
The InChIKey is SVZZSVFAKPECTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)12-4-3-9-5-10(12)7-11(13)6-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-propan-2-yl-2-azabicyclo[3.3.1]nonan-7-one?
2-propan-2-yl-2-azabicyclo[3.3.1]nonan-7-one has a molecular weight of 181.28 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2-azabicyclo[3.3.1]nonan-7-one is sourced from PubChem (CID 122592785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).