4-[(1S)-1-aminobut-3-enyl]-2,6-diiodophenol

C10H11I2NO — CID 130731072

IUPAC4-[(1S)-1-aminobut-3-enyl]-2,6-diiodophenol
SMILESC=CC[C@H](N)c1cc(I)c(O)c(I)c1
InChIInChI=1S/C10H11I2NO/c1-2-3-9(13)6-4-7(11)10(14)8(12)5-6/h2,4-5,9,14H,1,3,13H2/t9-/m0/s1
InChIKeyQJFCKMDRSJIMSL-VIFPVBQESA-N
MW415.01 g/mol
LogP3.18
Rot. Bonds3

About 4-[(1S)-1-aminobut-3-enyl]-2,6-diiodophenol

4-[(1S)-1-aminobut-3-enyl]-2,6-diiodophenol (PubChem CID 130731072) has the molecular formula C10H11I2NO and a molecular weight of 415.01 g/mol. Its IUPAC name is 4-[(1S)-1-aminobut-3-enyl]-2,6-diiodophenol.

Molecular Properties

Compound Name4-[(1S)-1-aminobut-3-enyl]-2,6-diiodophenol
PubChem CID130731072
Molecular FormulaC10H11I2NO
Molecular Weight415.01 g/mol
Exact Mass414.89
IUPAC Name4-[(1S)-1-aminobut-3-enyl]-2,6-diiodophenol
SMILESC=CC[C@H](N)c1cc(I)c(O)c(I)c1
InChIInChI=1S/C10H11I2NO/c1-2-3-9(13)6-4-7(11)10(14)8(12)5-6/h2,4-5,9,14H,1,3,13H2/t9-/m0/s1
InChIKeyQJFCKMDRSJIMSL-VIFPVBQESA-N
XLogP3.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.01
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(1S)-1-aminobut-3-enyl]-2,6-diiodophenol 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

4-[(1S)-1-amino-2-fluoroethyl]-2,6-diiodophenol;hydrochloride
CID 171215816
(1S)-1-(4-iodo-3-methylphenyl)but-3-en-1-amine
CID 130739983
4-[(1S)-1-aminobutyl]-2,6-diiodophenol
CID 130705727
4-[(1R)-1,4-diaminobutyl]-2,6-diiodophenol
CID 171215819
1-(3,5-dibromophenyl)but-3-en-1-amine
CID 103693293
4-[(1S)-1,5-diaminopentyl]-2,6-diiodophenol
CID 171235454
4-[(1R)-1-aminobut-3-enyl]-6-hydroxy-1H-pyridin-2-one
CID 131037925
4-[(1S)-1-aminobut-3-enyl]phenol;hydrochloride
CID 171217719
(1S)-1-(3,5-dichlorophenyl)but-3-en-1-amine;hydrochloride
CID 171222077
4-[(1R)-1,5-diaminopentyl]-2,6-diiodophenol;hydrochloride
CID 171215822
3-(1-aminobut-3-enyl)-5-methylaniline
CID 130059672
4-[(1R)-1-aminobut-3-enyl]-2,6-dichloroaniline
CID 131172310

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminobut-3-enyl]-2,6-diiodophenol?
The IUPAC name of 4-[(1S)-1-aminobut-3-enyl]-2,6-diiodophenol (CID 130731072) is 4-[(1S)-1-aminobut-3-enyl]-2,6-diiodophenol.
What is the SMILES notation for 4-[(1S)-1-aminobut-3-enyl]-2,6-diiodophenol?
The canonical SMILES for 4-[(1S)-1-aminobut-3-enyl]-2,6-diiodophenol is C=CC[C@H](N)c1cc(I)c(O)c(I)c1.
What is the InChIKey of 4-[(1S)-1-aminobut-3-enyl]-2,6-diiodophenol?
The InChIKey is QJFCKMDRSJIMSL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11I2NO/c1-2-3-9(13)6-4-7(11)10(14)8(12)5-6/h2,4-5,9,14H,1,3,13H2/t9-/m0/s1.
What are the key properties of 4-[(1S)-1-aminobut-3-enyl]-2,6-diiodophenol?
4-[(1S)-1-aminobut-3-enyl]-2,6-diiodophenol has a molecular weight of 415.01 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-aminobut-3-enyl]-2,6-diiodophenol is sourced from PubChem (CID 130731072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).