(5S)-3-tert-butyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one

C12H19NO2 — CID 24982142

IUPAC(5S)-3-tert-butyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one
SMILESCC(C)(C)N1CC23CCC(C[C@@H]2C1=O)O3
InChIInChI=1S/C12H19NO2/c1-11(2,3)13-7-12-5-4-8(15-12)6-9(12)10(13)14/h8-9H,4-7H2,1-3H3/t8?,9-,12?/m1/s1
InChIKeyWLPACXWTHIHSEK-NBBOBHDQSA-N
MW209.29 g/mol
LogP1.56
Rot. Bonds

About (5S)-3-tert-butyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one

(5S)-3-tert-butyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one (PubChem CID 24982142) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (5S)-3-tert-butyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one.

Molecular Properties

Compound Name(5S)-3-tert-butyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one
PubChem CID24982142
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(5S)-3-tert-butyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one
SMILESCC(C)(C)N1CC23CCC(C[C@@H]2C1=O)O3
InChIInChI=1S/C12H19NO2/c1-11(2,3)13-7-12-5-4-8(15-12)6-9(12)10(13)14/h8-9H,4-7H2,1-3H3/t8?,9-,12?/m1/s1
InChIKeyWLPACXWTHIHSEK-NBBOBHDQSA-N
XLogP1.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-tert-butyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one?
The IUPAC name of (5S)-3-tert-butyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one (CID 24982142) is (5S)-3-tert-butyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one.
What is the SMILES notation for (5S)-3-tert-butyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one?
The canonical SMILES for (5S)-3-tert-butyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one is CC(C)(C)N1CC23CCC(C[C@@H]2C1=O)O3.
What is the InChIKey of (5S)-3-tert-butyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one?
The InChIKey is WLPACXWTHIHSEK-NBBOBHDQSA-N. The full InChI is InChI=1S/C12H19NO2/c1-11(2,3)13-7-12-5-4-8(15-12)6-9(12)10(13)14/h8-9H,4-7H2,1-3H3/t8?,9-,12?/m1/s1.
What are the key properties of (5S)-3-tert-butyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one?
(5S)-3-tert-butyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one has a molecular weight of 209.29 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-tert-butyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one is sourced from PubChem (CID 24982142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).