3-naphthalen-2-ylazetidine

C13H13N — CID 116962282

IUPAC3-naphthalen-2-ylazetidine
SMILESc1ccc2cc(C3CNC3)ccc2c1
InChIInChI=1S/C13H13N/c1-2-4-11-7-12(13-8-14-9-13)6-5-10(11)3-1/h1-7,13-14H,8-9H2
InChIKeyXEZQEGSJIUWGJQ-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.53
Rot. Bonds1

About 3-naphthalen-2-ylazetidine

3-naphthalen-2-ylazetidine (PubChem CID 116962282) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-naphthalen-2-ylazetidine.

Molecular Properties

Compound Name3-naphthalen-2-ylazetidine
PubChem CID116962282
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name3-naphthalen-2-ylazetidine
SMILESc1ccc2cc(C3CNC3)ccc2c1
InChIInChI=1S/C13H13N/c1-2-4-11-7-12(13-8-14-9-13)6-5-10(11)3-1/h1-7,13-14H,8-9H2
InChIKeyXEZQEGSJIUWGJQ-UHFFFAOYSA-N
XLogP2.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-ylazetidine?
The IUPAC name of 3-naphthalen-2-ylazetidine (CID 116962282) is 3-naphthalen-2-ylazetidine.
What is the SMILES notation for 3-naphthalen-2-ylazetidine?
The canonical SMILES for 3-naphthalen-2-ylazetidine is c1ccc2cc(C3CNC3)ccc2c1.
What is the InChIKey of 3-naphthalen-2-ylazetidine?
The InChIKey is XEZQEGSJIUWGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-2-4-11-7-12(13-8-14-9-13)6-5-10(11)3-1/h1-7,13-14H,8-9H2.
What are the key properties of 3-naphthalen-2-ylazetidine?
3-naphthalen-2-ylazetidine has a molecular weight of 183.25 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-ylazetidine is sourced from PubChem (CID 116962282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).