2,2-dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one

C11H19NO2 — CID 66370919

IUPAC2,2-dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C11H19NO2/c1-11(2,3)10(13)12-6-8-4-5-9(7-12)14-8/h8-9H,4-7H2,1-3H3
InChIKeyAPDCZAFLTCOUJL-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.42
Rot. Bonds

About 2,2-dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one

2,2-dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one (PubChem CID 66370919) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2,2-dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
PubChem CID66370919
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2,2-dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C11H19NO2/c1-11(2,3)10(13)12-6-8-4-5-9(7-12)14-8/h8-9H,4-7H2,1-3H3
InChIKeyAPDCZAFLTCOUJL-UHFFFAOYSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one (CID 66370919) is 2,2-dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one is CC(C)(C)C(=O)N1CC2CCC(C1)O2.
What is the InChIKey of 2,2-dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The InChIKey is APDCZAFLTCOUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2,3)10(13)12-6-8-4-5-9(7-12)14-8/h8-9H,4-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
2,2-dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one is sourced from PubChem (CID 66370919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).