(Z)-3-aminoprop-2-enoyl iodide

C3H4INO — CID 163526607

IUPAC(Z)-3-aminoprop-2-enoyl iodide
SMILESN/C=C\C(=O)I
InChIInChI=1S/C3H4INO/c4-3(6)1-2-5/h1-2H,5H2/b2-1-
InChIKeyDPHQZJADCPRCGO-UPHRSURJSA-N
MW196.97 g/mol
LogP0.42
Rot. Bonds1

About (Z)-3-aminoprop-2-enoyl iodide

(Z)-3-aminoprop-2-enoyl iodide (PubChem CID 163526607) has the molecular formula C3H4INO and a molecular weight of 196.97 g/mol. Its IUPAC name is (Z)-3-aminoprop-2-enoyl iodide.

Molecular Properties

Compound Name(Z)-3-aminoprop-2-enoyl iodide
PubChem CID163526607
Molecular FormulaC3H4INO
Molecular Weight196.97 g/mol
Exact Mass196.93
IUPAC Name(Z)-3-aminoprop-2-enoyl iodide
SMILESN/C=C\C(=O)I
InChIInChI=1S/C3H4INO/c4-3(6)1-2-5/h1-2H,5H2/b2-1-
InChIKeyDPHQZJADCPRCGO-UPHRSURJSA-N
XLogP0.42
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.97
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-aminoprop-2-enoic acid
CID 10148985
3-amino-1-silylprop-2-en-1-one
CID 154481802
(E)-3-aminoprop-2-enehydrazide
CID 89046550
(1Z,4Z)-1-aminohexa-1,4-dien-3-one
CID 143438957
(Z)-3-cyanoprop-2-enoyl iodide
CID 122607560
(2E)-2-hydroxyiminoacetyl iodide
CID 88576223
propyl 3-aminoprop-2-enoate
CID 154061664
buta-1,3-diene-1,2,4-triamine
CID 163586800
(1Z,3Z)-3,6-dimethylhepta-1,3,5-trien-1-amine
CID 130224549
(2E,4E,6E)-7-aminohepta-2,4,6-trienoic acid
CID 101066529
ethane;(Z)-3-methyliminobut-1-en-1-amine
CID 143155642
3-amino-1-(4-aminophenyl)prop-2-en-1-one
CID 70629831

Frequently Asked Questions

What is the IUPAC name of (Z)-3-aminoprop-2-enoyl iodide?
The IUPAC name of (Z)-3-aminoprop-2-enoyl iodide (CID 163526607) is (Z)-3-aminoprop-2-enoyl iodide.
What is the SMILES notation for (Z)-3-aminoprop-2-enoyl iodide?
The canonical SMILES for (Z)-3-aminoprop-2-enoyl iodide is N/C=C\C(=O)I.
What is the InChIKey of (Z)-3-aminoprop-2-enoyl iodide?
The InChIKey is DPHQZJADCPRCGO-UPHRSURJSA-N. The full InChI is InChI=1S/C3H4INO/c4-3(6)1-2-5/h1-2H,5H2/b2-1-.
What are the key properties of (Z)-3-aminoprop-2-enoyl iodide?
(Z)-3-aminoprop-2-enoyl iodide has a molecular weight of 196.97 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-aminoprop-2-enoyl iodide is sourced from PubChem (CID 163526607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).