3-pent-3-ynylazetidin-3-ol

C8H13NO — CID 104809578

IUPAC3-pent-3-ynylazetidin-3-ol
SMILESCC#CCCC1(O)CNC1
InChIInChI=1S/C8H13NO/c1-2-3-4-5-8(10)6-9-7-8/h9-10H,4-7H2,1H3
InChIKeyXWMFANKWVBFXOK-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.12
Rot. Bonds2

About 3-pent-3-ynylazetidin-3-ol

3-pent-3-ynylazetidin-3-ol (PubChem CID 104809578) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-pent-3-ynylazetidin-3-ol.

Molecular Properties

Compound Name3-pent-3-ynylazetidin-3-ol
PubChem CID104809578
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-pent-3-ynylazetidin-3-ol
SMILESCC#CCCC1(O)CNC1
InChIInChI=1S/C8H13NO/c1-2-3-4-5-8(10)6-9-7-8/h9-10H,4-7H2,1H3
InChIKeyXWMFANKWVBFXOK-UHFFFAOYSA-N
XLogP0.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pent-3-ynylazetidin-3-ol?
The IUPAC name of 3-pent-3-ynylazetidin-3-ol (CID 104809578) is 3-pent-3-ynylazetidin-3-ol.
What is the SMILES notation for 3-pent-3-ynylazetidin-3-ol?
The canonical SMILES for 3-pent-3-ynylazetidin-3-ol is CC#CCCC1(O)CNC1.
What is the InChIKey of 3-pent-3-ynylazetidin-3-ol?
The InChIKey is XWMFANKWVBFXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-4-5-8(10)6-9-7-8/h9-10H,4-7H2,1H3.
What are the key properties of 3-pent-3-ynylazetidin-3-ol?
3-pent-3-ynylazetidin-3-ol has a molecular weight of 139.20 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-3-ynylazetidin-3-ol is sourced from PubChem (CID 104809578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).