1-(3-methylbut-3-enyl)azetidin-3-ol

C8H15NO — CID 114476551

IUPAC1-(3-methylbut-3-enyl)azetidin-3-ol
SMILESC=C(C)CCN1CC(O)C1
InChIInChI=1S/C8H15NO/c1-7(2)3-4-9-5-8(10)6-9/h8,10H,1,3-6H2,2H3
InChIKeyUSAWLLNEPZKUKX-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.63
Rot. Bonds3

About 1-(3-methylbut-3-enyl)azetidin-3-ol

1-(3-methylbut-3-enyl)azetidin-3-ol (PubChem CID 114476551) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-(3-methylbut-3-enyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(3-methylbut-3-enyl)azetidin-3-ol
PubChem CID114476551
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-(3-methylbut-3-enyl)azetidin-3-ol
SMILESC=C(C)CCN1CC(O)C1
InChIInChI=1S/C8H15NO/c1-7(2)3-4-9-5-8(10)6-9/h8,10H,1,3-6H2,2H3
InChIKeyUSAWLLNEPZKUKX-UHFFFAOYSA-N
XLogP0.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-methylbut-3-enyl)azetidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine
CID 130719606
(3R)-3-methyl-1-(3-methylbut-3-enyl)piperazine
CID 104975739
3-(3-hydroxyazetidin-1-yl)-N-methylpropanamide
CID 63282149
8-(3-methylbut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 114448981
1-[1-(3-methylbut-3-enyl)piperidin-4-yl]ethanone
CID 114472635
1-(3,3-dimethylbutyl)azetidin-3-ol
CID 58530884
3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-amine
CID 114473405
3-ethyl-1-(3-methylbut-3-enyl)azetidin-3-ol
CID 114476556
2,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine
CID 126995396
7-methyl-4-(3-methylbut-3-enyl)-1,4-thiazepane
CID 131065136
1-(2-ethylsulfanylethyl)azetidin-3-ol
CID 115773113
1-[3-(dimethylamino)propyl]azetidin-3-ol
CID 115773117

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-3-enyl)azetidin-3-ol?
The IUPAC name of 1-(3-methylbut-3-enyl)azetidin-3-ol (CID 114476551) is 1-(3-methylbut-3-enyl)azetidin-3-ol.
What is the SMILES notation for 1-(3-methylbut-3-enyl)azetidin-3-ol?
The canonical SMILES for 1-(3-methylbut-3-enyl)azetidin-3-ol is C=C(C)CCN1CC(O)C1.
What is the InChIKey of 1-(3-methylbut-3-enyl)azetidin-3-ol?
The InChIKey is USAWLLNEPZKUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(2)3-4-9-5-8(10)6-9/h8,10H,1,3-6H2,2H3.
What are the key properties of 1-(3-methylbut-3-enyl)azetidin-3-ol?
1-(3-methylbut-3-enyl)azetidin-3-ol has a molecular weight of 141.21 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-3-enyl)azetidin-3-ol is sourced from PubChem (CID 114476551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).