3-cyclohexa-1,5-dien-1-yloxy-1-ethylazetidine

C11H17NO — CID 173070902

IUPAC3-cyclohexa-1,5-dien-1-yloxy-1-ethylazetidine
SMILESCCN1CC(OC2=CCCC=C2)C1
InChIInChI=1S/C11H17NO/c1-2-12-8-11(9-12)13-10-6-4-3-5-7-10/h4,6-7,11H,2-3,5,8-9H2,1H3
InChIKeyLBCYTMPRLLZCNZ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.94
Rot. Bonds3

About 3-cyclohexa-1,5-dien-1-yloxy-1-ethylazetidine

3-cyclohexa-1,5-dien-1-yloxy-1-ethylazetidine (PubChem CID 173070902) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yloxy-1-ethylazetidine.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yloxy-1-ethylazetidine
PubChem CID173070902
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-cyclohexa-1,5-dien-1-yloxy-1-ethylazetidine
SMILESCCN1CC(OC2=CCCC=C2)C1
InChIInChI=1S/C11H17NO/c1-2-12-8-11(9-12)13-10-6-4-3-5-7-10/h4,6-7,11H,2-3,5,8-9H2,1H3
InChIKeyLBCYTMPRLLZCNZ-UHFFFAOYSA-N
XLogP1.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yloxy-1-ethylazetidine?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yloxy-1-ethylazetidine (CID 173070902) is 3-cyclohexa-1,5-dien-1-yloxy-1-ethylazetidine.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yloxy-1-ethylazetidine?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yloxy-1-ethylazetidine is CCN1CC(OC2=CCCC=C2)C1.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yloxy-1-ethylazetidine?
The InChIKey is LBCYTMPRLLZCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-12-8-11(9-12)13-10-6-4-3-5-7-10/h4,6-7,11H,2-3,5,8-9H2,1H3.
What are the key properties of 3-cyclohexa-1,5-dien-1-yloxy-1-ethylazetidine?
3-cyclohexa-1,5-dien-1-yloxy-1-ethylazetidine has a molecular weight of 179.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yloxy-1-ethylazetidine is sourced from PubChem (CID 173070902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).