(1S,3R,7S)-10-ethylidene-2-oxa-6-azatricyclo[5.3.0.01,3]dec-8-ene

C10H13NO — CID 163057728

IUPAC(1S,3R,7S)-10-ethylidene-2-oxa-6-azatricyclo[5.3.0.01,3]dec-8-ene
SMILESCC=C1C=C[C@@H]2NCC[C@H]3O[C@@]123
InChIInChI=1S/C10H13NO/c1-2-7-3-4-8-10(7)9(12-10)5-6-11-8/h2-4,8-9,11H,5-6H2,1H3/t8-,9+,10-/m0/s1
InChIKeyXFDNFSFFQFVZGJ-AEJSXWLSSA-N
MW163.22 g/mol
LogP1.00
Rot. Bonds

About (1S,3R,7S)-10-ethylidene-2-oxa-6-azatricyclo[5.3.0.01,3]dec-8-ene

(1S,3R,7S)-10-ethylidene-2-oxa-6-azatricyclo[5.3.0.01,3]dec-8-ene (PubChem CID 163057728) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (1S,3R,7S)-10-ethylidene-2-oxa-6-azatricyclo[5.3.0.01,3]dec-8-ene.

Molecular Properties

Compound Name(1S,3R,7S)-10-ethylidene-2-oxa-6-azatricyclo[5.3.0.01,3]dec-8-ene
PubChem CID163057728
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(1S,3R,7S)-10-ethylidene-2-oxa-6-azatricyclo[5.3.0.01,3]dec-8-ene
SMILESCC=C1C=C[C@@H]2NCC[C@H]3O[C@@]123
InChIInChI=1S/C10H13NO/c1-2-7-3-4-8-10(7)9(12-10)5-6-11-8/h2-4,8-9,11H,5-6H2,1H3/t8-,9+,10-/m0/s1
InChIKeyXFDNFSFFQFVZGJ-AEJSXWLSSA-N
XLogP1.00
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,3R,7S)-10-ethylidene-2-oxa-6-azatricyclo[5.3.0.01,3]dec-8-ene?
The IUPAC name of (1S,3R,7S)-10-ethylidene-2-oxa-6-azatricyclo[5.3.0.01,3]dec-8-ene (CID 163057728) is (1S,3R,7S)-10-ethylidene-2-oxa-6-azatricyclo[5.3.0.01,3]dec-8-ene.
What is the SMILES notation for (1S,3R,7S)-10-ethylidene-2-oxa-6-azatricyclo[5.3.0.01,3]dec-8-ene?
The canonical SMILES for (1S,3R,7S)-10-ethylidene-2-oxa-6-azatricyclo[5.3.0.01,3]dec-8-ene is CC=C1C=C[C@@H]2NCC[C@H]3O[C@@]123.
What is the InChIKey of (1S,3R,7S)-10-ethylidene-2-oxa-6-azatricyclo[5.3.0.01,3]dec-8-ene?
The InChIKey is XFDNFSFFQFVZGJ-AEJSXWLSSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-7-3-4-8-10(7)9(12-10)5-6-11-8/h2-4,8-9,11H,5-6H2,1H3/t8-,9+,10-/m0/s1.
What are the key properties of (1S,3R,7S)-10-ethylidene-2-oxa-6-azatricyclo[5.3.0.01,3]dec-8-ene?
(1S,3R,7S)-10-ethylidene-2-oxa-6-azatricyclo[5.3.0.01,3]dec-8-ene has a molecular weight of 163.22 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,7S)-10-ethylidene-2-oxa-6-azatricyclo[5.3.0.01,3]dec-8-ene is sourced from PubChem (CID 163057728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).