1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one

C9H15NO2 — CID 146186453

IUPAC1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one
SMILESCCC(=O)N1C[C@H]2CC[C@@H](C1)O2
InChIInChI=1S/C9H15NO2/c1-2-9(11)10-5-7-3-4-8(6-10)12-7/h7-8H,2-6H2,1H3/t7-,8+
InChIKeySEWQRNPCZROSQR-OCAPTIKFSA-N
MW169.22 g/mol
LogP0.79
Rot. Bonds1

About 1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one

1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one (PubChem CID 146186453) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one
PubChem CID146186453
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one
SMILESCCC(=O)N1C[C@H]2CC[C@@H](C1)O2
InChIInChI=1S/C9H15NO2/c1-2-9(11)10-5-7-3-4-8(6-10)12-7/h7-8H,2-6H2,1H3/t7-,8+
InChIKeySEWQRNPCZROSQR-OCAPTIKFSA-N
XLogP0.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one?
The IUPAC name of 1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one (CID 146186453) is 1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one.
What is the SMILES notation for 1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one?
The canonical SMILES for 1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one is CCC(=O)N1C[C@H]2CC[C@@H](C1)O2.
What is the InChIKey of 1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one?
The InChIKey is SEWQRNPCZROSQR-OCAPTIKFSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-9(11)10-5-7-3-4-8(6-10)12-7/h7-8H,2-6H2,1H3/t7-,8+.
What are the key properties of 1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one?
1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one has a molecular weight of 169.22 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one is sourced from PubChem (CID 146186453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).