1-amino-3-methoxypropan-2-ol;7-oxabicyclo[4.1.0]hepta-1,3,5-triene

C10H15NO3 — CID 21319053

IUPAC1-amino-3-methoxypropan-2-ol;7-oxabicyclo[4.1.0]hepta-1,3,5-triene
SMILESCOCC(O)CN.c1ccc2c(c1)O2
InChIInChI=1S/C6H4O.C4H11NO2/c1-2-4-6-5(3-1)7-6;1-7-3-4(6)2-5/h1-4H;4,6H,2-3,5H2,1H3
InChIKeyYVGFPYDHGVFWTI-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.74
Rot. Bonds3

About 1-amino-3-methoxypropan-2-ol;7-oxabicyclo[4.1.0]hepta-1,3,5-triene

1-amino-3-methoxypropan-2-ol;7-oxabicyclo[4.1.0]hepta-1,3,5-triene (PubChem CID 21319053) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-amino-3-methoxypropan-2-ol;7-oxabicyclo[4.1.0]hepta-1,3,5-triene.

Molecular Properties

Compound Name1-amino-3-methoxypropan-2-ol;7-oxabicyclo[4.1.0]hepta-1,3,5-triene
PubChem CID21319053
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-amino-3-methoxypropan-2-ol;7-oxabicyclo[4.1.0]hepta-1,3,5-triene
SMILESCOCC(O)CN.c1ccc2c(c1)O2
InChIInChI=1S/C6H4O.C4H11NO2/c1-2-4-6-5(3-1)7-6;1-7-3-4(6)2-5/h1-4H;4,6H,2-3,5H2,1H3
InChIKeyYVGFPYDHGVFWTI-UHFFFAOYSA-N
XLogP0.74
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-amino-3-methoxypropan-2-ol;7-oxabicyclo[4.1.0]hepta-1,3,5-triene 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 1-amino-3-methoxypropan-2-ol;7-oxabicyclo[4.1.0]hepta-1,3,5-triene?
The IUPAC name of 1-amino-3-methoxypropan-2-ol;7-oxabicyclo[4.1.0]hepta-1,3,5-triene (CID 21319053) is 1-amino-3-methoxypropan-2-ol;7-oxabicyclo[4.1.0]hepta-1,3,5-triene.
What is the SMILES notation for 1-amino-3-methoxypropan-2-ol;7-oxabicyclo[4.1.0]hepta-1,3,5-triene?
The canonical SMILES for 1-amino-3-methoxypropan-2-ol;7-oxabicyclo[4.1.0]hepta-1,3,5-triene is COCC(O)CN.c1ccc2c(c1)O2.
What is the InChIKey of 1-amino-3-methoxypropan-2-ol;7-oxabicyclo[4.1.0]hepta-1,3,5-triene?
The InChIKey is YVGFPYDHGVFWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O.C4H11NO2/c1-2-4-6-5(3-1)7-6;1-7-3-4(6)2-5/h1-4H;4,6H,2-3,5H2,1H3.
What are the key properties of 1-amino-3-methoxypropan-2-ol;7-oxabicyclo[4.1.0]hepta-1,3,5-triene?
1-amino-3-methoxypropan-2-ol;7-oxabicyclo[4.1.0]hepta-1,3,5-triene has a molecular weight of 197.23 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methoxypropan-2-ol;7-oxabicyclo[4.1.0]hepta-1,3,5-triene is sourced from PubChem (CID 21319053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).