4-(azetidin-3-yl)but-1-en-2-ol

C7H13NO — CID 176931147

IUPAC4-(azetidin-3-yl)but-1-en-2-ol
SMILESC=C(O)CCC1CNC1
InChIInChI=1S/C7H13NO/c1-6(9)2-3-7-4-8-5-7/h7-9H,1-5H2
InChIKeyMXODFEATDWKEJC-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.06
Rot. Bonds3

About 4-(azetidin-3-yl)but-1-en-2-ol

4-(azetidin-3-yl)but-1-en-2-ol (PubChem CID 176931147) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-(azetidin-3-yl)but-1-en-2-ol.

Molecular Properties

Compound Name4-(azetidin-3-yl)but-1-en-2-ol
PubChem CID176931147
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name4-(azetidin-3-yl)but-1-en-2-ol
SMILESC=C(O)CCC1CNC1
InChIInChI=1S/C7H13NO/c1-6(9)2-3-7-4-8-5-7/h7-9H,1-5H2
InChIKeyMXODFEATDWKEJC-UHFFFAOYSA-N
XLogP1.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)but-1-en-2-ol?
The IUPAC name of 4-(azetidin-3-yl)but-1-en-2-ol (CID 176931147) is 4-(azetidin-3-yl)but-1-en-2-ol.
What is the SMILES notation for 4-(azetidin-3-yl)but-1-en-2-ol?
The canonical SMILES for 4-(azetidin-3-yl)but-1-en-2-ol is C=C(O)CCC1CNC1.
What is the InChIKey of 4-(azetidin-3-yl)but-1-en-2-ol?
The InChIKey is MXODFEATDWKEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(9)2-3-7-4-8-5-7/h7-9H,1-5H2.
What are the key properties of 4-(azetidin-3-yl)but-1-en-2-ol?
4-(azetidin-3-yl)but-1-en-2-ol has a molecular weight of 127.19 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yl)but-1-en-2-ol is sourced from PubChem (CID 176931147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).