(1R,7R)-7,8-dimethyl-6,10-dioxa-2-azatricyclo[5.3.0.01,4]decane

C9H15NO2 — CID 145335219

IUPAC(1R,7R)-7,8-dimethyl-6,10-dioxa-2-azatricyclo[5.3.0.01,4]decane
SMILESCC1CO[C@]23NCC2CO[C@]13C
InChIInChI=1S/C9H15NO2/c1-6-4-12-9-7(3-10-9)5-11-8(6,9)2/h6-7,10H,3-5H2,1-2H3/t6?,7?,8-,9-/m1/s1
InChIKeyMXZSNJUTCUXLSA-GEPGNKONSA-N
MW169.22 g/mol
LogP0.36
Rot. Bonds

About (1R,7R)-7,8-dimethyl-6,10-dioxa-2-azatricyclo[5.3.0.01,4]decane

(1R,7R)-7,8-dimethyl-6,10-dioxa-2-azatricyclo[5.3.0.01,4]decane (PubChem CID 145335219) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (1R,7R)-7,8-dimethyl-6,10-dioxa-2-azatricyclo[5.3.0.01,4]decane.

Molecular Properties

Compound Name(1R,7R)-7,8-dimethyl-6,10-dioxa-2-azatricyclo[5.3.0.01,4]decane
PubChem CID145335219
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(1R,7R)-7,8-dimethyl-6,10-dioxa-2-azatricyclo[5.3.0.01,4]decane
SMILESCC1CO[C@]23NCC2CO[C@]13C
InChIInChI=1S/C9H15NO2/c1-6-4-12-9-7(3-10-9)5-11-8(6,9)2/h6-7,10H,3-5H2,1-2H3/t6?,7?,8-,9-/m1/s1
InChIKeyMXZSNJUTCUXLSA-GEPGNKONSA-N
XLogP0.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,7R)-7,8-dimethyl-6,10-dioxa-2-azatricyclo[5.3.0.01,4]decane?
The IUPAC name of (1R,7R)-7,8-dimethyl-6,10-dioxa-2-azatricyclo[5.3.0.01,4]decane (CID 145335219) is (1R,7R)-7,8-dimethyl-6,10-dioxa-2-azatricyclo[5.3.0.01,4]decane.
What is the SMILES notation for (1R,7R)-7,8-dimethyl-6,10-dioxa-2-azatricyclo[5.3.0.01,4]decane?
The canonical SMILES for (1R,7R)-7,8-dimethyl-6,10-dioxa-2-azatricyclo[5.3.0.01,4]decane is CC1CO[C@]23NCC2CO[C@]13C.
What is the InChIKey of (1R,7R)-7,8-dimethyl-6,10-dioxa-2-azatricyclo[5.3.0.01,4]decane?
The InChIKey is MXZSNJUTCUXLSA-GEPGNKONSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6-4-12-9-7(3-10-9)5-11-8(6,9)2/h6-7,10H,3-5H2,1-2H3/t6?,7?,8-,9-/m1/s1.
What are the key properties of (1R,7R)-7,8-dimethyl-6,10-dioxa-2-azatricyclo[5.3.0.01,4]decane?
(1R,7R)-7,8-dimethyl-6,10-dioxa-2-azatricyclo[5.3.0.01,4]decane has a molecular weight of 169.22 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7R)-7,8-dimethyl-6,10-dioxa-2-azatricyclo[5.3.0.01,4]decane is sourced from PubChem (CID 145335219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).