(1S,2R,6S,7S)-5-(methoxymethyl)-1,2-dimethyl-3-azatricyclo[4.1.0.02,7]heptane

C10H17NO — CID 152824171

IUPAC(1S,2R,6S,7S)-5-(methoxymethyl)-1,2-dimethyl-3-azatricyclo[4.1.0.02,7]heptane
SMILESCOCC1CN[C@]2(C)[C@H]3[C@@H]1[C@@]32C
InChIInChI=1S/C10H17NO/c1-9-7-6(5-12-3)4-11-10(9,2)8(7)9/h6-8,11H,4-5H2,1-3H3/t6?,7-,8+,9+,10-/m1/s1
InChIKeySUMNOUVEONJYQD-VGXONPELSA-N
MW167.25 g/mol
LogP0.88
Rot. Bonds2

About (1S,2R,6S,7S)-5-(methoxymethyl)-1,2-dimethyl-3-azatricyclo[4.1.0.02,7]heptane

(1S,2R,6S,7S)-5-(methoxymethyl)-1,2-dimethyl-3-azatricyclo[4.1.0.02,7]heptane (PubChem CID 152824171) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (1S,2R,6S,7S)-5-(methoxymethyl)-1,2-dimethyl-3-azatricyclo[4.1.0.02,7]heptane.

Molecular Properties

Compound Name(1S,2R,6S,7S)-5-(methoxymethyl)-1,2-dimethyl-3-azatricyclo[4.1.0.02,7]heptane
PubChem CID152824171
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(1S,2R,6S,7S)-5-(methoxymethyl)-1,2-dimethyl-3-azatricyclo[4.1.0.02,7]heptane
SMILESCOCC1CN[C@]2(C)[C@H]3[C@@H]1[C@@]32C
InChIInChI=1S/C10H17NO/c1-9-7-6(5-12-3)4-11-10(9,2)8(7)9/h6-8,11H,4-5H2,1-3H3/t6?,7-,8+,9+,10-/m1/s1
InChIKeySUMNOUVEONJYQD-VGXONPELSA-N
XLogP0.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,6S,7S)-5-(methoxymethyl)-1,2-dimethyl-3-azatricyclo[4.1.0.02,7]heptane?
The IUPAC name of (1S,2R,6S,7S)-5-(methoxymethyl)-1,2-dimethyl-3-azatricyclo[4.1.0.02,7]heptane (CID 152824171) is (1S,2R,6S,7S)-5-(methoxymethyl)-1,2-dimethyl-3-azatricyclo[4.1.0.02,7]heptane.
What is the SMILES notation for (1S,2R,6S,7S)-5-(methoxymethyl)-1,2-dimethyl-3-azatricyclo[4.1.0.02,7]heptane?
The canonical SMILES for (1S,2R,6S,7S)-5-(methoxymethyl)-1,2-dimethyl-3-azatricyclo[4.1.0.02,7]heptane is COCC1CN[C@]2(C)[C@H]3[C@@H]1[C@@]32C.
What is the InChIKey of (1S,2R,6S,7S)-5-(methoxymethyl)-1,2-dimethyl-3-azatricyclo[4.1.0.02,7]heptane?
The InChIKey is SUMNOUVEONJYQD-VGXONPELSA-N. The full InChI is InChI=1S/C10H17NO/c1-9-7-6(5-12-3)4-11-10(9,2)8(7)9/h6-8,11H,4-5H2,1-3H3/t6?,7-,8+,9+,10-/m1/s1.
What are the key properties of (1S,2R,6S,7S)-5-(methoxymethyl)-1,2-dimethyl-3-azatricyclo[4.1.0.02,7]heptane?
(1S,2R,6S,7S)-5-(methoxymethyl)-1,2-dimethyl-3-azatricyclo[4.1.0.02,7]heptane has a molecular weight of 167.25 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6S,7S)-5-(methoxymethyl)-1,2-dimethyl-3-azatricyclo[4.1.0.02,7]heptane is sourced from PubChem (CID 152824171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).