4-(2-but-3-enoxyethylamino)oxolan-3-ol

C10H19NO3 — CID 106401577

IUPAC4-(2-but-3-enoxyethylamino)oxolan-3-ol
SMILESC=CCCOCCNC1COCC1O
InChIInChI=1S/C10H19NO3/c1-2-3-5-13-6-4-11-9-7-14-8-10(9)12/h2,9-12H,1,3-8H2
InChIKeyXIRVVXXMURPJHA-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.07
Rot. Bonds7

About 4-(2-but-3-enoxyethylamino)oxolan-3-ol

4-(2-but-3-enoxyethylamino)oxolan-3-ol (PubChem CID 106401577) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(2-but-3-enoxyethylamino)oxolan-3-ol.

Molecular Properties

Compound Name4-(2-but-3-enoxyethylamino)oxolan-3-ol
PubChem CID106401577
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-(2-but-3-enoxyethylamino)oxolan-3-ol
SMILESC=CCCOCCNC1COCC1O
InChIInChI=1S/C10H19NO3/c1-2-3-5-13-6-4-11-9-7-14-8-10(9)12/h2,9-12H,1,3-8H2
InChIKeyXIRVVXXMURPJHA-UHFFFAOYSA-N
XLogP-0.07
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-but-3-enoxyethylamino)oxolan-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 4-(2-but-3-enoxyethylamino)oxolan-3-ol?
The IUPAC name of 4-(2-but-3-enoxyethylamino)oxolan-3-ol (CID 106401577) is 4-(2-but-3-enoxyethylamino)oxolan-3-ol.
What is the SMILES notation for 4-(2-but-3-enoxyethylamino)oxolan-3-ol?
The canonical SMILES for 4-(2-but-3-enoxyethylamino)oxolan-3-ol is C=CCCOCCNC1COCC1O.
What is the InChIKey of 4-(2-but-3-enoxyethylamino)oxolan-3-ol?
The InChIKey is XIRVVXXMURPJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-3-5-13-6-4-11-9-7-14-8-10(9)12/h2,9-12H,1,3-8H2.
What are the key properties of 4-(2-but-3-enoxyethylamino)oxolan-3-ol?
4-(2-but-3-enoxyethylamino)oxolan-3-ol has a molecular weight of 201.27 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-but-3-enoxyethylamino)oxolan-3-ol is sourced from PubChem (CID 106401577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).