5-[(E)-3-aminoprop-1-enyl]-1,3-benzodioxol-4-ol

C10H11NO3 — CID 117283406

IUPAC5-[(E)-3-aminoprop-1-enyl]-1,3-benzodioxol-4-ol
SMILESNC/C=C/c1ccc2c(c1O)OCO2
InChIInChI=1S/C10H11NO3/c11-5-1-2-7-3-4-8-10(9(7)12)14-6-13-8/h1-4,12H,5-6,11H2/b2-1+
InChIKeyICZWXEAFEQOWRU-OWOJBTEDSA-N
MW193.20 g/mol
LogP1.09
Rot. Bonds2

About 5-[(E)-3-aminoprop-1-enyl]-1,3-benzodioxol-4-ol

5-[(E)-3-aminoprop-1-enyl]-1,3-benzodioxol-4-ol (PubChem CID 117283406) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 5-[(E)-3-aminoprop-1-enyl]-1,3-benzodioxol-4-ol.

Molecular Properties

Compound Name5-[(E)-3-aminoprop-1-enyl]-1,3-benzodioxol-4-ol
PubChem CID117283406
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name5-[(E)-3-aminoprop-1-enyl]-1,3-benzodioxol-4-ol
SMILESNC/C=C/c1ccc2c(c1O)OCO2
InChIInChI=1S/C10H11NO3/c11-5-1-2-7-3-4-8-10(9(7)12)14-6-13-8/h1-4,12H,5-6,11H2/b2-1+
InChIKeyICZWXEAFEQOWRU-OWOJBTEDSA-N
XLogP1.09
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(E)-3-aminoprop-1-enyl]-1,3-benzodioxol-4-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

(E)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-amine
CID 117298329
(E)-3-(6-bromo-1,3-benzodioxol-4-yl)prop-2-en-1-amine
CID 117393186
5-[(1S)-1,2-diaminoethyl]-1,3-benzodioxol-4-ol
CID 130632951
5-(4-aminobutyl)-1,3-benzodioxol-4-ol
CID 117298514
(E)-3-(7-bromo-6-methyl-1,3-benzodioxol-5-yl)prop-2-en-1-amine
CID 117428270
5-(aminooxymethyl)-1,3-benzodioxol-4-ol
CID 117279345
2-[(E)-3-aminoprop-1-enyl]-6-bromophenol
CID 117328126
5-(2-hydroxyethyl)-1,3-benzodioxol-4-ol
CID 117279028
6-[(E)-3-aminoprop-1-enyl]-2,3-dimethylphenol
CID 117277547
(E)-3-[6-(fluoromethyl)-1,3-benzodioxol-5-yl]prop-2-en-1-amine
CID 117298332
5-(2-amino-2-methylpropyl)-1,3-benzodioxol-4-ol
CID 117298709
5-[(1R)-1-aminoethyl]-1,3-benzodioxol-4-ol
CID 130739560

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-aminoprop-1-enyl]-1,3-benzodioxol-4-ol?
The IUPAC name of 5-[(E)-3-aminoprop-1-enyl]-1,3-benzodioxol-4-ol (CID 117283406) is 5-[(E)-3-aminoprop-1-enyl]-1,3-benzodioxol-4-ol.
What is the SMILES notation for 5-[(E)-3-aminoprop-1-enyl]-1,3-benzodioxol-4-ol?
The canonical SMILES for 5-[(E)-3-aminoprop-1-enyl]-1,3-benzodioxol-4-ol is NC/C=C/c1ccc2c(c1O)OCO2.
What is the InChIKey of 5-[(E)-3-aminoprop-1-enyl]-1,3-benzodioxol-4-ol?
The InChIKey is ICZWXEAFEQOWRU-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H11NO3/c11-5-1-2-7-3-4-8-10(9(7)12)14-6-13-8/h1-4,12H,5-6,11H2/b2-1+.
What are the key properties of 5-[(E)-3-aminoprop-1-enyl]-1,3-benzodioxol-4-ol?
5-[(E)-3-aminoprop-1-enyl]-1,3-benzodioxol-4-ol has a molecular weight of 193.20 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-aminoprop-1-enyl]-1,3-benzodioxol-4-ol is sourced from PubChem (CID 117283406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).