4-[(2S)-azetidin-2-yl]naphthalen-1-ol

C13H13NO — CID 55277860

IUPAC4-[(2S)-azetidin-2-yl]naphthalen-1-ol
SMILESOc1ccc([C@@H]2CCN2)c2ccccc12
InChIInChI=1S/C13H13NO/c15-13-6-5-10(12-7-8-14-12)9-3-1-2-4-11(9)13/h1-6,12,14-15H,7-8H2/t12-/m0/s1
InChIKeyIBUWXWPIMNTTOC-LBPRGKRZSA-N
MW199.25 g/mol
LogP2.58
Rot. Bonds1

About 4-[(2S)-azetidin-2-yl]naphthalen-1-ol

4-[(2S)-azetidin-2-yl]naphthalen-1-ol (PubChem CID 55277860) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-[(2S)-azetidin-2-yl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[(2S)-azetidin-2-yl]naphthalen-1-ol
PubChem CID55277860
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name4-[(2S)-azetidin-2-yl]naphthalen-1-ol
SMILESOc1ccc([C@@H]2CCN2)c2ccccc12
InChIInChI=1S/C13H13NO/c15-13-6-5-10(12-7-8-14-12)9-3-1-2-4-11(9)13/h1-6,12,14-15H,7-8H2/t12-/m0/s1
InChIKeyIBUWXWPIMNTTOC-LBPRGKRZSA-N
XLogP2.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-azetidin-2-yl]naphthalen-1-ol?
The IUPAC name of 4-[(2S)-azetidin-2-yl]naphthalen-1-ol (CID 55277860) is 4-[(2S)-azetidin-2-yl]naphthalen-1-ol.
What is the SMILES notation for 4-[(2S)-azetidin-2-yl]naphthalen-1-ol?
The canonical SMILES for 4-[(2S)-azetidin-2-yl]naphthalen-1-ol is Oc1ccc([C@@H]2CCN2)c2ccccc12.
What is the InChIKey of 4-[(2S)-azetidin-2-yl]naphthalen-1-ol?
The InChIKey is IBUWXWPIMNTTOC-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H13NO/c15-13-6-5-10(12-7-8-14-12)9-3-1-2-4-11(9)13/h1-6,12,14-15H,7-8H2/t12-/m0/s1.
What are the key properties of 4-[(2S)-azetidin-2-yl]naphthalen-1-ol?
4-[(2S)-azetidin-2-yl]naphthalen-1-ol has a molecular weight of 199.25 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-azetidin-2-yl]naphthalen-1-ol is sourced from PubChem (CID 55277860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).