(Z)-4-amino-1-iodo-2-methylbut-3-en-1-ol

C5H10INO — CID 170068750

IUPAC(Z)-4-amino-1-iodo-2-methylbut-3-en-1-ol
SMILESCC(/C=C\N)C(O)I
InChIInChI=1S/C5H10INO/c1-4(2-3-7)5(6)8/h2-5,8H,7H2,1H3/b3-2-
InChIKeyOBQAJMVYQDTOAI-IHWYPQMZSA-N
MW227.05 g/mol
LogP0.85
Rot. Bonds2

About (Z)-4-amino-1-iodo-2-methylbut-3-en-1-ol

(Z)-4-amino-1-iodo-2-methylbut-3-en-1-ol (PubChem CID 170068750) has the molecular formula C5H10INO and a molecular weight of 227.05 g/mol. Its IUPAC name is (Z)-4-amino-1-iodo-2-methylbut-3-en-1-ol.

Molecular Properties

Compound Name(Z)-4-amino-1-iodo-2-methylbut-3-en-1-ol
PubChem CID170068750
Molecular FormulaC5H10INO
Molecular Weight227.05 g/mol
Exact Mass226.98
IUPAC Name(Z)-4-amino-1-iodo-2-methylbut-3-en-1-ol
SMILESCC(/C=C\N)C(O)I
InChIInChI=1S/C5H10INO/c1-4(2-3-7)5(6)8/h2-5,8H,7H2,1H3/b3-2-
InChIKeyOBQAJMVYQDTOAI-IHWYPQMZSA-N
XLogP0.85
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.05
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-3,4-dimethylhexa-1,5-dien-1-amine
CID 174319915
3-methylbut-1-en-1-amine;hydrochloride
CID 53405415
magnesium;propan-2-ol;iodide
CID 173010280
hydroxylamine;propan-2-ol
CID 22024851
iodomethane;methanamine;propan-2-ol;hydrochloride
CID 175456006
4-amino-2-methylbut-3-enoic acid
CID 54452883
magnesium;hydride;propan-2-ol;hydrochloride
CID 173490258
tetrakis(propan-2-ol);samarium
CID 175326578
Indium(III) isopropoxide
CID 159258374
tetrakis(propan-2-ol);thulium
CID 174050117
holmium;tris(propan-2-ol)
CID 102601028
CID 85354423
CID 85354423

Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-1-iodo-2-methylbut-3-en-1-ol?
The IUPAC name of (Z)-4-amino-1-iodo-2-methylbut-3-en-1-ol (CID 170068750) is (Z)-4-amino-1-iodo-2-methylbut-3-en-1-ol.
What is the SMILES notation for (Z)-4-amino-1-iodo-2-methylbut-3-en-1-ol?
The canonical SMILES for (Z)-4-amino-1-iodo-2-methylbut-3-en-1-ol is CC(/C=C\N)C(O)I.
What is the InChIKey of (Z)-4-amino-1-iodo-2-methylbut-3-en-1-ol?
The InChIKey is OBQAJMVYQDTOAI-IHWYPQMZSA-N. The full InChI is InChI=1S/C5H10INO/c1-4(2-3-7)5(6)8/h2-5,8H,7H2,1H3/b3-2-.
What are the key properties of (Z)-4-amino-1-iodo-2-methylbut-3-en-1-ol?
(Z)-4-amino-1-iodo-2-methylbut-3-en-1-ol has a molecular weight of 227.05 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-1-iodo-2-methylbut-3-en-1-ol is sourced from PubChem (CID 170068750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).