1-(3-hydroxypropyl)azetidin-3-ol

C6H13NO2 — CID 63282490

IUPAC1-(3-hydroxypropyl)azetidin-3-ol
SMILESOCCCN1CC(O)C1
InChIInChI=1S/C6H13NO2/c8-3-1-2-7-4-6(9)5-7/h6,8-9H,1-5H2
InChIKeyCIQUUTJNKICSGY-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.95
Rot. Bonds3

About 1-(3-hydroxypropyl)azetidin-3-ol

1-(3-hydroxypropyl)azetidin-3-ol (PubChem CID 63282490) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(3-hydroxypropyl)azetidin-3-ol
PubChem CID63282490
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name1-(3-hydroxypropyl)azetidin-3-ol
SMILESOCCCN1CC(O)C1
InChIInChI=1S/C6H13NO2/c8-3-1-2-7-4-6(9)5-7/h6,8-9H,1-5H2
InChIKeyCIQUUTJNKICSGY-UHFFFAOYSA-N
XLogP-0.95
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)azetidin-3-ol?
The IUPAC name of 1-(3-hydroxypropyl)azetidin-3-ol (CID 63282490) is 1-(3-hydroxypropyl)azetidin-3-ol.
What is the SMILES notation for 1-(3-hydroxypropyl)azetidin-3-ol?
The canonical SMILES for 1-(3-hydroxypropyl)azetidin-3-ol is OCCCN1CC(O)C1.
What is the InChIKey of 1-(3-hydroxypropyl)azetidin-3-ol?
The InChIKey is CIQUUTJNKICSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c8-3-1-2-7-4-6(9)5-7/h6,8-9H,1-5H2.
What are the key properties of 1-(3-hydroxypropyl)azetidin-3-ol?
1-(3-hydroxypropyl)azetidin-3-ol has a molecular weight of 131.18 g/mol, XLogP of -0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)azetidin-3-ol is sourced from PubChem (CID 63282490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).