(2R,4S)-7-methoxy-9-methyl-9-azatricyclo[3.3.1.02,4]nonane

C10H17NO — CID 126672500

IUPAC(2R,4S)-7-methoxy-9-methyl-9-azatricyclo[3.3.1.02,4]nonane
SMILESCOC1CC2[C@H]3C[C@H]3C(C1)N2C
InChIInChI=1S/C10H17NO/c1-11-9-3-6(12-2)4-10(11)8-5-7(8)9/h6-10H,3-5H2,1-2H3/t6?,7-,8+,9?,10?
InChIKeyUCVRBSCRAMKGAZ-ALPUWHEMSA-N
MW167.25 g/mol
LogP1.11
Rot. Bonds1

About (2R,4S)-7-methoxy-9-methyl-9-azatricyclo[3.3.1.02,4]nonane

(2R,4S)-7-methoxy-9-methyl-9-azatricyclo[3.3.1.02,4]nonane (PubChem CID 126672500) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2R,4S)-7-methoxy-9-methyl-9-azatricyclo[3.3.1.02,4]nonane.

Molecular Properties

Compound Name(2R,4S)-7-methoxy-9-methyl-9-azatricyclo[3.3.1.02,4]nonane
PubChem CID126672500
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2R,4S)-7-methoxy-9-methyl-9-azatricyclo[3.3.1.02,4]nonane
SMILESCOC1CC2[C@H]3C[C@H]3C(C1)N2C
InChIInChI=1S/C10H17NO/c1-11-9-3-6(12-2)4-10(11)8-5-7(8)9/h6-10H,3-5H2,1-2H3/t6?,7-,8+,9?,10?
InChIKeyUCVRBSCRAMKGAZ-ALPUWHEMSA-N
XLogP1.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-7-methoxy-9-methyl-9-azatricyclo[3.3.1.02,4]nonane?
The IUPAC name of (2R,4S)-7-methoxy-9-methyl-9-azatricyclo[3.3.1.02,4]nonane (CID 126672500) is (2R,4S)-7-methoxy-9-methyl-9-azatricyclo[3.3.1.02,4]nonane.
What is the SMILES notation for (2R,4S)-7-methoxy-9-methyl-9-azatricyclo[3.3.1.02,4]nonane?
The canonical SMILES for (2R,4S)-7-methoxy-9-methyl-9-azatricyclo[3.3.1.02,4]nonane is COC1CC2[C@H]3C[C@H]3C(C1)N2C.
What is the InChIKey of (2R,4S)-7-methoxy-9-methyl-9-azatricyclo[3.3.1.02,4]nonane?
The InChIKey is UCVRBSCRAMKGAZ-ALPUWHEMSA-N. The full InChI is InChI=1S/C10H17NO/c1-11-9-3-6(12-2)4-10(11)8-5-7(8)9/h6-10H,3-5H2,1-2H3/t6?,7-,8+,9?,10?.
What are the key properties of (2R,4S)-7-methoxy-9-methyl-9-azatricyclo[3.3.1.02,4]nonane?
(2R,4S)-7-methoxy-9-methyl-9-azatricyclo[3.3.1.02,4]nonane has a molecular weight of 167.25 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-7-methoxy-9-methyl-9-azatricyclo[3.3.1.02,4]nonane is sourced from PubChem (CID 126672500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).