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

C7H13NO — CID 177230653

IUPAC(E)-4-(azetidin-1-yl)but-2-en-1-ol
SMILESOC/C=C/CN1CCC1
InChIInChI=1S/C7H13NO/c9-7-2-1-4-8-5-3-6-8/h1-2,9H,3-7H2/b2-1+
InChIKeyUIEXUBJFHDSZDW-OWOJBTEDSA-N
MW127.19 g/mol
LogP0.24
Rot. Bonds3

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

(E)-4-(azetidin-1-yl)but-2-en-1-ol (PubChem CID 177230653) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (E)-4-(azetidin-1-yl)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-(azetidin-1-yl)but-2-en-1-ol
PubChem CID177230653
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(E)-4-(azetidin-1-yl)but-2-en-1-ol
SMILESOC/C=C/CN1CCC1
InChIInChI=1S/C7H13NO/c9-7-2-1-4-8-5-3-6-8/h1-2,9H,3-7H2/b2-1+
InChIKeyUIEXUBJFHDSZDW-OWOJBTEDSA-N
XLogP0.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(azetidin-1-yl)but-2-en-1-ol?
The IUPAC name of (E)-4-(azetidin-1-yl)but-2-en-1-ol (CID 177230653) is (E)-4-(azetidin-1-yl)but-2-en-1-ol.
What is the SMILES notation for (E)-4-(azetidin-1-yl)but-2-en-1-ol?
The canonical SMILES for (E)-4-(azetidin-1-yl)but-2-en-1-ol is OC/C=C/CN1CCC1.
What is the InChIKey of (E)-4-(azetidin-1-yl)but-2-en-1-ol?
The InChIKey is UIEXUBJFHDSZDW-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H13NO/c9-7-2-1-4-8-5-3-6-8/h1-2,9H,3-7H2/b2-1+.
What are the key properties of (E)-4-(azetidin-1-yl)but-2-en-1-ol?
(E)-4-(azetidin-1-yl)but-2-en-1-ol has a molecular weight of 127.19 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(azetidin-1-yl)but-2-en-1-ol is sourced from PubChem (CID 177230653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).