(1R,5S)-2-ethoxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene

C10H17NO — CID 162987512

IUPAC(1R,5S)-2-ethoxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
SMILESCCOC1=CC[C@@H]2CC[C@H]1N2C
InChIInChI=1S/C10H17NO/c1-3-12-10-7-5-8-4-6-9(10)11(8)2/h7-9H,3-6H2,1-2H3/t8-,9+/m0/s1
InChIKeyPXLVPMMLLRSAJQ-DTWKUNHWSA-N
MW167.25 g/mol
LogP1.77
Rot. Bonds2

About (1R,5S)-2-ethoxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene

(1R,5S)-2-ethoxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 162987512) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (1R,5S)-2-ethoxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name(1R,5S)-2-ethoxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID162987512
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(1R,5S)-2-ethoxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
SMILESCCOC1=CC[C@@H]2CC[C@H]1N2C
InChIInChI=1S/C10H17NO/c1-3-12-10-7-5-8-4-6-9(10)11(8)2/h7-9H,3-6H2,1-2H3/t8-,9+/m0/s1
InChIKeyPXLVPMMLLRSAJQ-DTWKUNHWSA-N
XLogP1.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-2-ethoxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of (1R,5S)-2-ethoxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene (CID 162987512) is (1R,5S)-2-ethoxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for (1R,5S)-2-ethoxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for (1R,5S)-2-ethoxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene is CCOC1=CC[C@@H]2CC[C@H]1N2C.
What is the InChIKey of (1R,5S)-2-ethoxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is PXLVPMMLLRSAJQ-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-12-10-7-5-8-4-6-9(10)11(8)2/h7-9H,3-6H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of (1R,5S)-2-ethoxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
(1R,5S)-2-ethoxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 167.25 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-2-ethoxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 162987512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).