1-(1-bicyclo[1.1.1]pentanyl)azetidin-3-ol

C8H13NO — CID 155896453

IUPAC1-(1-bicyclo[1.1.1]pentanyl)azetidin-3-ol
SMILESOC1CN(C23CC(C2)C3)C1
InChIInChI=1S/C8H13NO/c10-7-4-9(5-7)8-1-6(2-8)3-8/h6-7,10H,1-5H2
InChIKeyCNRPBBIBBJGZPJ-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.22
Rot. Bonds1

About 1-(1-bicyclo[1.1.1]pentanyl)azetidin-3-ol

1-(1-bicyclo[1.1.1]pentanyl)azetidin-3-ol (PubChem CID 155896453) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(1-bicyclo[1.1.1]pentanyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(1-bicyclo[1.1.1]pentanyl)azetidin-3-ol
PubChem CID155896453
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-(1-bicyclo[1.1.1]pentanyl)azetidin-3-ol
SMILESOC1CN(C23CC(C2)C3)C1
InChIInChI=1S/C8H13NO/c10-7-4-9(5-7)8-1-6(2-8)3-8/h6-7,10H,1-5H2
InChIKeyCNRPBBIBBJGZPJ-UHFFFAOYSA-N
XLogP0.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-bicyclo[1.1.1]pentanyl)azetidin-3-ol?
The IUPAC name of 1-(1-bicyclo[1.1.1]pentanyl)azetidin-3-ol (CID 155896453) is 1-(1-bicyclo[1.1.1]pentanyl)azetidin-3-ol.
What is the SMILES notation for 1-(1-bicyclo[1.1.1]pentanyl)azetidin-3-ol?
The canonical SMILES for 1-(1-bicyclo[1.1.1]pentanyl)azetidin-3-ol is OC1CN(C23CC(C2)C3)C1.
What is the InChIKey of 1-(1-bicyclo[1.1.1]pentanyl)azetidin-3-ol?
The InChIKey is CNRPBBIBBJGZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c10-7-4-9(5-7)8-1-6(2-8)3-8/h6-7,10H,1-5H2.
What are the key properties of 1-(1-bicyclo[1.1.1]pentanyl)azetidin-3-ol?
1-(1-bicyclo[1.1.1]pentanyl)azetidin-3-ol has a molecular weight of 139.20 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[1.1.1]pentanyl)azetidin-3-ol is sourced from PubChem (CID 155896453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).