1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one

C7H11NO2 — CID 170346594

IUPAC1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one
SMILESCC12CC(C)(C1)OC(=O)N2
InChIInChI=1S/C7H11NO2/c1-6-3-7(2,4-6)10-5(9)8-6/h3-4H2,1-2H3,(H,8,9)
InChIKeyDZNJOAVWESYMRZ-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.04
Rot. Bonds

About 1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one

1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one (PubChem CID 170346594) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one.

Molecular Properties

Compound Name1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one
PubChem CID170346594
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one
SMILESCC12CC(C)(C1)OC(=O)N2
InChIInChI=1S/C7H11NO2/c1-6-3-7(2,4-6)10-5(9)8-6/h3-4H2,1-2H3,(H,8,9)
InChIKeyDZNJOAVWESYMRZ-UHFFFAOYSA-N
XLogP1.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 166026899
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CID 45091872
2,2-dimethyl-1,3-oxazinane-4,6-dione
CID 154006806
4,4,5,5-tetraiodo-1,3-oxazolidin-2-one
CID 174875312
5,5-dimethyl-1,3-oxathiolan-2-one
CID 11344039
5-methoxy-6,6-dimethyl-1,3-oxazinan-2-one
CID 58464075
6,6,8,8-tetramethyl-3,7-dioxa-1-azaspiro[4.4]nonan-2-one
CID 79934597
4-methyl-4,5,5-triphenyl-1,3-oxazolidin-2-one
CID 67774393
6'-bromo-5,5-dimethylspiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-one
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4,5,5-trimethyl-1,3-oxathiolan-2-one
CID 86010435
2,2-dimethyl-1,3-thiazolidin-4-one
CID 637592
5-cyclopropyl-5-methyl-1,3-oxazolidine-2,4-dione
CID 102571206

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one?
The IUPAC name of 1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one (CID 170346594) is 1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one.
What is the SMILES notation for 1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one?
The canonical SMILES for 1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one is CC12CC(C)(C1)OC(=O)N2.
What is the InChIKey of 1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one?
The InChIKey is DZNJOAVWESYMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-6-3-7(2,4-6)10-5(9)8-6/h3-4H2,1-2H3,(H,8,9).
What are the key properties of 1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one?
1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one has a molecular weight of 141.17 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one is sourced from PubChem (CID 170346594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).