3-(azetidin-3-yl)-3-methylbut-1-en-2-ol

C8H15NO — CID 118544751

IUPAC3-(azetidin-3-yl)-3-methylbut-1-en-2-ol
SMILESC=C(O)C(C)(C)C1CNC1
InChIInChI=1S/C8H15NO/c1-6(10)8(2,3)7-4-9-5-7/h7,9-10H,1,4-5H2,2-3H3
InChIKeySQZXOXFYCPTCAT-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.30
Rot. Bonds2

About 3-(azetidin-3-yl)-3-methylbut-1-en-2-ol

3-(azetidin-3-yl)-3-methylbut-1-en-2-ol (PubChem CID 118544751) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-3-methylbut-1-en-2-ol.

Molecular Properties

Compound Name3-(azetidin-3-yl)-3-methylbut-1-en-2-ol
PubChem CID118544751
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-(azetidin-3-yl)-3-methylbut-1-en-2-ol
SMILESC=C(O)C(C)(C)C1CNC1
InChIInChI=1S/C8H15NO/c1-6(10)8(2,3)7-4-9-5-7/h7,9-10H,1,4-5H2,2-3H3
InChIKeySQZXOXFYCPTCAT-UHFFFAOYSA-N
XLogP1.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.30
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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Related Compounds

3-(Azetidin-3-yl)prop-1-en-2-ol
CID 118544748

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-3-methylbut-1-en-2-ol?
The IUPAC name of 3-(azetidin-3-yl)-3-methylbut-1-en-2-ol (CID 118544751) is 3-(azetidin-3-yl)-3-methylbut-1-en-2-ol.
What is the SMILES notation for 3-(azetidin-3-yl)-3-methylbut-1-en-2-ol?
The canonical SMILES for 3-(azetidin-3-yl)-3-methylbut-1-en-2-ol is C=C(O)C(C)(C)C1CNC1.
What is the InChIKey of 3-(azetidin-3-yl)-3-methylbut-1-en-2-ol?
The InChIKey is SQZXOXFYCPTCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(10)8(2,3)7-4-9-5-7/h7,9-10H,1,4-5H2,2-3H3.
What are the key properties of 3-(azetidin-3-yl)-3-methylbut-1-en-2-ol?
3-(azetidin-3-yl)-3-methylbut-1-en-2-ol has a molecular weight of 141.21 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-3-methylbut-1-en-2-ol is sourced from PubChem (CID 118544751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).