(E)-3-iodopent-2-enoic acid

C5H7IO2 — CID 15420267

IUPAC(E)-3-iodopent-2-enoic acid
SMILESCC/C(I)=C\C(=O)O
InChIInChI=1S/C5H7IO2/c1-2-4(6)3-5(7)8/h3H,2H2,1H3,(H,7,8)/b4-3+
InChIKeyUFNWNYLVHAABMZ-ONEGZZNKSA-N
MW226.01 g/mol
LogP1.80
Rot. Bonds2

About (E)-3-iodopent-2-enoic acid

(E)-3-iodopent-2-enoic acid (PubChem CID 15420267) has the molecular formula C5H7IO2 and a molecular weight of 226.01 g/mol. Its IUPAC name is (E)-3-iodopent-2-enoic acid.

Molecular Properties

Compound Name(E)-3-iodopent-2-enoic acid
PubChem CID15420267
Molecular FormulaC5H7IO2
Molecular Weight226.01 g/mol
Exact Mass225.95
IUPAC Name(E)-3-iodopent-2-enoic acid
SMILESCC/C(I)=C\C(=O)O
InChIInChI=1S/C5H7IO2/c1-2-4(6)3-5(7)8/h3H,2H2,1H3,(H,7,8)/b4-3+
InChIKeyUFNWNYLVHAABMZ-ONEGZZNKSA-N
XLogP1.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.01
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-iodo-4-methoxybut-2-enoic acid
CID 11060484
(Z)-3-hydroxypent-2-enoic acid
CID 54693198
(E)-3-methylpent-2-enoic acid
CID 5473433
(Z)-3-aminopent-2-enoic acid
CID 21472497
3-methoxypent-2-enedioic acid
CID 86011063
(Z)-but-2-enedioic acid;(Z)-2-ethylbut-2-enedioic acid
CID 134261232
(Z)-3-iodo-3-trimethylsilylprop-2-enoic acid
CID 11071791
(Z)-3-hydroxyhex-2-enoic acid
CID 54724955
(Z)-but-2-enedioic acid;propanoic acid
CID 88602405
3,3-bis(ethylamino)prop-2-enoic acid
CID 87416208
(2E)-3,7-dimethylnona-2,6-dienoic acid
CID 170842129
(E)-3-[(E)-2-iodoethenyl]hex-2-enoic acid
CID 134855222

Frequently Asked Questions

What is the IUPAC name of (E)-3-iodopent-2-enoic acid?
The IUPAC name of (E)-3-iodopent-2-enoic acid (CID 15420267) is (E)-3-iodopent-2-enoic acid.
What is the SMILES notation for (E)-3-iodopent-2-enoic acid?
The canonical SMILES for (E)-3-iodopent-2-enoic acid is CC/C(I)=C\C(=O)O.
What is the InChIKey of (E)-3-iodopent-2-enoic acid?
The InChIKey is UFNWNYLVHAABMZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H7IO2/c1-2-4(6)3-5(7)8/h3H,2H2,1H3,(H,7,8)/b4-3+.
What are the key properties of (E)-3-iodopent-2-enoic acid?
(E)-3-iodopent-2-enoic acid has a molecular weight of 226.01 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-iodopent-2-enoic acid is sourced from PubChem (CID 15420267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).