7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one

C11H19NO2 — CID 73124558

IUPAC7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one
SMILESCC(C)(C)N1CC2COCC(C1)C2=O
InChIInChI=1S/C11H19NO2/c1-11(2,3)12-4-8-6-14-7-9(5-12)10(8)13/h8-9H,4-7H2,1-3H3
InChIKeyOXRJFFODJYDDCH-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.93
Rot. Bonds

About 7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one

7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one (PubChem CID 73124558) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one
PubChem CID73124558
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one
SMILESCC(C)(C)N1CC2COCC(C1)C2=O
InChIInChI=1S/C11H19NO2/c1-11(2,3)12-4-8-6-14-7-9(5-12)10(8)13/h8-9H,4-7H2,1-3H3
InChIKeyOXRJFFODJYDDCH-UHFFFAOYSA-N
XLogP0.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl 9-oxo-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CID 67392026
3-(Piperidin-1-ylmethyl)oxan-4-one hydrochloride
CID 75494112
7-(2,2,2-Trifluoroethyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-one
CID 68036554
7-(3-Butoxypropyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-one
CID 129784509
3,7-Diazabicyclo[3.3.1]nonan-9-one, 1-(methoxymethyl)-3,7-dimethyl-
CID 547558
7-Methyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one
CID 22744561
3-Methyl-1-(4-methyloxan-4-yl)piperidin-4-one
CID 59683260
(1S,5R)-7-acetyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one
CID 118136909
(3R)-3-(methoxymethyl)-1-propan-2-ylpiperidin-4-one
CID 156652231
4-[[(3S)-1-propan-2-ylpiperidin-3-yl]methoxy]butan-2-one
CID 170366267
4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methoxy]butan-2-one
CID 170366270
Butyl 9-oxo-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CID 177772823

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one?
The IUPAC name of 7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one (CID 73124558) is 7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for 7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one?
The canonical SMILES for 7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one is CC(C)(C)N1CC2COCC(C1)C2=O.
What is the InChIKey of 7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one?
The InChIKey is OXRJFFODJYDDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2,3)12-4-8-6-14-7-9(5-12)10(8)13/h8-9H,4-7H2,1-3H3.
What are the key properties of 7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one?
7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one has a molecular weight of 197.28 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 73124558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).