(7S)-2-oxa-3-azatricyclo[5.3.1.03,8]undecane

C9H15NO — CID 70500131

IUPAC(7S)-2-oxa-3-azatricyclo[5.3.1.03,8]undecane
SMILESC1C[C@H]2CC3CCC2N(C1)O3
InChIInChI=1S/C9H15NO/c1-2-7-6-8-3-4-9(7)10(5-1)11-8/h7-9H,1-6H2/t7-,8?,9?/m0/s1
InChIKeyIIVOPVKXGDXTJD-UEJVZZJDSA-N
MW153.22 g/mol
LogP1.56
Rot. Bonds

About (7S)-2-oxa-3-azatricyclo[5.3.1.03,8]undecane

(7S)-2-oxa-3-azatricyclo[5.3.1.03,8]undecane (PubChem CID 70500131) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (7S)-2-oxa-3-azatricyclo[5.3.1.03,8]undecane.

Molecular Properties

Compound Name(7S)-2-oxa-3-azatricyclo[5.3.1.03,8]undecane
PubChem CID70500131
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(7S)-2-oxa-3-azatricyclo[5.3.1.03,8]undecane
SMILESC1C[C@H]2CC3CCC2N(C1)O3
InChIInChI=1S/C9H15NO/c1-2-7-6-8-3-4-9(7)10(5-1)11-8/h7-9H,1-6H2/t7-,8?,9?/m0/s1
InChIKeyIIVOPVKXGDXTJD-UEJVZZJDSA-N
XLogP1.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S)-2-oxa-3-azatricyclo[5.3.1.03,8]undecane?
The IUPAC name of (7S)-2-oxa-3-azatricyclo[5.3.1.03,8]undecane (CID 70500131) is (7S)-2-oxa-3-azatricyclo[5.3.1.03,8]undecane.
What is the SMILES notation for (7S)-2-oxa-3-azatricyclo[5.3.1.03,8]undecane?
The canonical SMILES for (7S)-2-oxa-3-azatricyclo[5.3.1.03,8]undecane is C1C[C@H]2CC3CCC2N(C1)O3.
What is the InChIKey of (7S)-2-oxa-3-azatricyclo[5.3.1.03,8]undecane?
The InChIKey is IIVOPVKXGDXTJD-UEJVZZJDSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-7-6-8-3-4-9(7)10(5-1)11-8/h7-9H,1-6H2/t7-,8?,9?/m0/s1.
What are the key properties of (7S)-2-oxa-3-azatricyclo[5.3.1.03,8]undecane?
(7S)-2-oxa-3-azatricyclo[5.3.1.03,8]undecane has a molecular weight of 153.22 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 (7S)-2-oxa-3-azatricyclo[5.3.1.03,8]undecane is sourced from PubChem (CID 70500131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).