(5S)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane

C10H17NO — CID 118881760

IUPAC(5S)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane
SMILESCOC/C=C1\CC2CC[C@@H](C1)N2
InChIInChI=1S/C10H17NO/c1-12-5-4-8-6-9-2-3-10(7-8)11-9/h4,9-11H,2-3,5-7H2,1H3/b8-4-/t9-,10?/m0/s1
InChIKeyNULXBWZMYUXZIF-HAWZVTPXSA-N
MW167.25 g/mol
LogP1.47
Rot. Bonds2

About (5S)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane

(5S)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane (PubChem CID 118881760) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (5S)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(5S)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane
PubChem CID118881760
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(5S)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane
SMILESCOC/C=C1\CC2CC[C@@H](C1)N2
InChIInChI=1S/C10H17NO/c1-12-5-4-8-6-9-2-3-10(7-8)11-9/h4,9-11H,2-3,5-7H2,1H3/b8-4-/t9-,10?/m0/s1
InChIKeyNULXBWZMYUXZIF-HAWZVTPXSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5S)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane?
The IUPAC name of (5S)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane (CID 118881760) is (5S)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (5S)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (5S)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane is COC/C=C1\CC2CC[C@@H](C1)N2.
What is the InChIKey of (5S)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane?
The InChIKey is NULXBWZMYUXZIF-HAWZVTPXSA-N. The full InChI is InChI=1S/C10H17NO/c1-12-5-4-8-6-9-2-3-10(7-8)11-9/h4,9-11H,2-3,5-7H2,1H3/b8-4-/t9-,10?/m0/s1.
What are the key properties of (5S)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane?
(5S)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane has a molecular weight of 167.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 118881760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).