3-(2-methoxycyclohexa-1,3-dien-1-yl)azetidine

C10H15NO — CID 166468818

IUPAC3-(2-methoxycyclohexa-1,3-dien-1-yl)azetidine
SMILESCOC1=C(C2CNC2)CCC=C1
InChIInChI=1S/C10H15NO/c1-12-10-5-3-2-4-9(10)8-6-11-7-8/h3,5,8,11H,2,4,6-7H2,1H3
InChIKeyFRERRXGYIJTIAF-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.46
Rot. Bonds2

About 3-(2-methoxycyclohexa-1,3-dien-1-yl)azetidine

3-(2-methoxycyclohexa-1,3-dien-1-yl)azetidine (PubChem CID 166468818) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-(2-methoxycyclohexa-1,3-dien-1-yl)azetidine.

Molecular Properties

Compound Name3-(2-methoxycyclohexa-1,3-dien-1-yl)azetidine
PubChem CID166468818
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-(2-methoxycyclohexa-1,3-dien-1-yl)azetidine
SMILESCOC1=C(C2CNC2)CCC=C1
InChIInChI=1S/C10H15NO/c1-12-10-5-3-2-4-9(10)8-6-11-7-8/h3,5,8,11H,2,4,6-7H2,1H3
InChIKeyFRERRXGYIJTIAF-UHFFFAOYSA-N
XLogP1.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxycyclohexa-1,3-dien-1-yl)azetidine?
The IUPAC name of 3-(2-methoxycyclohexa-1,3-dien-1-yl)azetidine (CID 166468818) is 3-(2-methoxycyclohexa-1,3-dien-1-yl)azetidine.
What is the SMILES notation for 3-(2-methoxycyclohexa-1,3-dien-1-yl)azetidine?
The canonical SMILES for 3-(2-methoxycyclohexa-1,3-dien-1-yl)azetidine is COC1=C(C2CNC2)CCC=C1.
What is the InChIKey of 3-(2-methoxycyclohexa-1,3-dien-1-yl)azetidine?
The InChIKey is FRERRXGYIJTIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-12-10-5-3-2-4-9(10)8-6-11-7-8/h3,5,8,11H,2,4,6-7H2,1H3.
What are the key properties of 3-(2-methoxycyclohexa-1,3-dien-1-yl)azetidine?
3-(2-methoxycyclohexa-1,3-dien-1-yl)azetidine has a molecular weight of 165.24 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxycyclohexa-1,3-dien-1-yl)azetidine is sourced from PubChem (CID 166468818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).