3-[2-(cyclohexen-1-yl)ethyl]azetidine

C11H19N — CID 131181697

IUPAC3-[2-(cyclohexen-1-yl)ethyl]azetidine
SMILESC1=C(CCC2CNC2)CCCC1
InChIInChI=1S/C11H19N/c1-2-4-10(5-3-1)6-7-11-8-12-9-11/h4,11-12H,1-3,5-9H2
InChIKeyIWJORGIHUQGEED-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.49
Rot. Bonds3

About 3-[2-(cyclohexen-1-yl)ethyl]azetidine

3-[2-(cyclohexen-1-yl)ethyl]azetidine (PubChem CID 131181697) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)ethyl]azetidine.

Molecular Properties

Compound Name3-[2-(cyclohexen-1-yl)ethyl]azetidine
PubChem CID131181697
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name3-[2-(cyclohexen-1-yl)ethyl]azetidine
SMILESC1=C(CCC2CNC2)CCCC1
InChIInChI=1S/C11H19N/c1-2-4-10(5-3-1)6-7-11-8-12-9-11/h4,11-12H,1-3,5-9H2
InChIKeyIWJORGIHUQGEED-UHFFFAOYSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-3-ylacetamide
CID 55105005
2-(cyclohexen-1-yl)ethyl-trimethylsilane
CID 18764452
2-(cyclohepten-1-yl)ethanamine;hydrochloride
CID 75421023
1-(3-cyclobutylpropyl)cyclopentene
CID 147990269
1-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperazine
CID 82077738
1-[4-(cyclopenten-1-yl)butyl]cyclopentene
CID 10420053
2-(cyclohexen-1-yl)ethoxy-trimethylsilane
CID 552743
1-butylcyclononene
CID 56981158
dichloro-[2-(cyclohexen-1-yl)ethyl]silane
CID 154202254
2-(Cyclohex-1-en-1-yl)ethyl
CID 57423167
1-pentylcyclododecene
CID 150654776
1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132739

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexen-1-yl)ethyl]azetidine?
The IUPAC name of 3-[2-(cyclohexen-1-yl)ethyl]azetidine (CID 131181697) is 3-[2-(cyclohexen-1-yl)ethyl]azetidine.
What is the SMILES notation for 3-[2-(cyclohexen-1-yl)ethyl]azetidine?
The canonical SMILES for 3-[2-(cyclohexen-1-yl)ethyl]azetidine is C1=C(CCC2CNC2)CCCC1.
What is the InChIKey of 3-[2-(cyclohexen-1-yl)ethyl]azetidine?
The InChIKey is IWJORGIHUQGEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-2-4-10(5-3-1)6-7-11-8-12-9-11/h4,11-12H,1-3,5-9H2.
What are the key properties of 3-[2-(cyclohexen-1-yl)ethyl]azetidine?
3-[2-(cyclohexen-1-yl)ethyl]azetidine has a molecular weight of 165.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexen-1-yl)ethyl]azetidine is sourced from PubChem (CID 131181697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).