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

C10H19NO — CID 114476556

IUPAC3-ethyl-1-(3-methylbut-3-enyl)azetidin-3-ol
SMILESC=C(C)CCN1CC(O)(CC)C1
InChIInChI=1S/C10H19NO/c1-4-10(12)7-11(8-10)6-5-9(2)3/h12H,2,4-8H2,1,3H3
InChIKeyHKWANXYDAKSWCR-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds4

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

3-ethyl-1-(3-methylbut-3-enyl)azetidin-3-ol (PubChem CID 114476556) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-ethyl-1-(3-methylbut-3-enyl)azetidin-3-ol.

Molecular Properties

Compound Name3-ethyl-1-(3-methylbut-3-enyl)azetidin-3-ol
PubChem CID114476556
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-ethyl-1-(3-methylbut-3-enyl)azetidin-3-ol
SMILESC=C(C)CCN1CC(O)(CC)C1
InChIInChI=1S/C10H19NO/c1-4-10(12)7-11(8-10)6-5-9(2)3/h12H,2,4-8H2,1,3H3
InChIKeyHKWANXYDAKSWCR-UHFFFAOYSA-N
XLogP1.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethyl-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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methylbut-3-enyl)azetidin-3-ol?
The IUPAC name of 3-ethyl-1-(3-methylbut-3-enyl)azetidin-3-ol (CID 114476556) is 3-ethyl-1-(3-methylbut-3-enyl)azetidin-3-ol.
What is the SMILES notation for 3-ethyl-1-(3-methylbut-3-enyl)azetidin-3-ol?
The canonical SMILES for 3-ethyl-1-(3-methylbut-3-enyl)azetidin-3-ol is C=C(C)CCN1CC(O)(CC)C1.
What is the InChIKey of 3-ethyl-1-(3-methylbut-3-enyl)azetidin-3-ol?
The InChIKey is HKWANXYDAKSWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-10(12)7-11(8-10)6-5-9(2)3/h12H,2,4-8H2,1,3H3.
What are the key properties of 3-ethyl-1-(3-methylbut-3-enyl)azetidin-3-ol?
3-ethyl-1-(3-methylbut-3-enyl)azetidin-3-ol has a molecular weight of 169.27 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methylbut-3-enyl)azetidin-3-ol is sourced from PubChem (CID 114476556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).