1-butylazetidin-3-ol

C7H15NO — CID 12982481

IUPAC1-butylazetidin-3-ol
SMILESCCCCN1CC(O)C1
InChIInChI=1S/C7H15NO/c1-2-3-4-8-5-7(9)6-8/h7,9H,2-6H2,1H3
InChIKeyZBZXLWOOMIFOFF-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.46
Rot. Bonds3

About 1-butylazetidin-3-ol

1-butylazetidin-3-ol (PubChem CID 12982481) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-butylazetidin-3-ol.

Molecular Properties

Compound Name1-butylazetidin-3-ol
PubChem CID12982481
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-butylazetidin-3-ol
SMILESCCCCN1CC(O)C1
InChIInChI=1S/C7H15NO/c1-2-3-4-8-5-7(9)6-8/h7,9H,2-6H2,1H3
InChIKeyZBZXLWOOMIFOFF-UHFFFAOYSA-N
XLogP0.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butylazetidin-3-ol?
The IUPAC name of 1-butylazetidin-3-ol (CID 12982481) is 1-butylazetidin-3-ol.
What is the SMILES notation for 1-butylazetidin-3-ol?
The canonical SMILES for 1-butylazetidin-3-ol is CCCCN1CC(O)C1.
What is the InChIKey of 1-butylazetidin-3-ol?
The InChIKey is ZBZXLWOOMIFOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-2-3-4-8-5-7(9)6-8/h7,9H,2-6H2,1H3.
What are the key properties of 1-butylazetidin-3-ol?
1-butylazetidin-3-ol has a molecular weight of 129.20 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylazetidin-3-ol is sourced from PubChem (CID 12982481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).