(Z,2E)-5-ethylimino-2-(iodomethylidene)pent-3-enoic acid

C8H10INO2 — CID 155472178

IUPAC(Z,2E)-5-ethylimino-2-(iodomethylidene)pent-3-enoic acid
SMILESCC/N=C/C=C\C(=C/I)C(=O)O
InChIInChI=1S/C8H10INO2/c1-2-10-5-3-4-7(6-9)8(11)12/h3-6H,2H2,1H3,(H,11,12)/b4-3-,7-6+,10-5+
InChIKeyMROAKYCTIUMELJ-ORYXZVKXSA-N
MW279.08 g/mol
LogP2.04
Rot. Bonds4

About (Z,2E)-5-ethylimino-2-(iodomethylidene)pent-3-enoic acid

(Z,2E)-5-ethylimino-2-(iodomethylidene)pent-3-enoic acid (PubChem CID 155472178) has the molecular formula C8H10INO2 and a molecular weight of 279.08 g/mol. Its IUPAC name is (Z,2E)-5-ethylimino-2-(iodomethylidene)pent-3-enoic acid.

Molecular Properties

Compound Name(Z,2E)-5-ethylimino-2-(iodomethylidene)pent-3-enoic acid
PubChem CID155472178
Molecular FormulaC8H10INO2
Molecular Weight279.08 g/mol
Exact Mass278.98
IUPAC Name(Z,2E)-5-ethylimino-2-(iodomethylidene)pent-3-enoic acid
SMILESCC/N=C/C=C\C(=C/I)C(=O)O
InChIInChI=1S/C8H10INO2/c1-2-10-5-3-4-7(6-9)8(11)12/h3-6H,2H2,1H3,(H,11,12)/b4-3-,7-6+,10-5+
InChIKeyMROAKYCTIUMELJ-ORYXZVKXSA-N
XLogP2.04
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-ethyliminobut-2-enoic acid
CID 173228167
(E)-3-ethenyl-5-ethyliminopent-3-en-2-one
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(2E)-2-ethylidenepent-3-enoic acid
CID 162183190
(2E,3Z)-2-(2-methyliminoethylidene)hexa-3,5-dienoic acid
CID 146912098
(E)-2-[(E)-prop-1-enyl]pent-2-enoic acid
CID 14178880
(2E,4E)-2-[(E)-prop-1-enyl]nona-2,4-dienoic acid
CID 143619943
(E)-2-(ethyliminomethyl)-N-pent-2-ynylbut-2-enamide
CID 171837514
(E)-3-(ethyliminomethyl)-4-hydroxypent-3-en-2-one
CID 146028410
(E,2Z)-2-butylideneoct-3-enoic acid
CID 172709713
2-hex-1-enylbut-2-enedioic acid
CID 57259789
3-(ethyliminomethyl)but-3-enoic acid
CID 154029010
2-prop-1-enylundec-2-enoic acid
CID 142785547

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-5-ethylimino-2-(iodomethylidene)pent-3-enoic acid?
The IUPAC name of (Z,2E)-5-ethylimino-2-(iodomethylidene)pent-3-enoic acid (CID 155472178) is (Z,2E)-5-ethylimino-2-(iodomethylidene)pent-3-enoic acid.
What is the SMILES notation for (Z,2E)-5-ethylimino-2-(iodomethylidene)pent-3-enoic acid?
The canonical SMILES for (Z,2E)-5-ethylimino-2-(iodomethylidene)pent-3-enoic acid is CC/N=C/C=C\C(=C/I)C(=O)O.
What is the InChIKey of (Z,2E)-5-ethylimino-2-(iodomethylidene)pent-3-enoic acid?
The InChIKey is MROAKYCTIUMELJ-ORYXZVKXSA-N. The full InChI is InChI=1S/C8H10INO2/c1-2-10-5-3-4-7(6-9)8(11)12/h3-6H,2H2,1H3,(H,11,12)/b4-3-,7-6+,10-5+.
What are the key properties of (Z,2E)-5-ethylimino-2-(iodomethylidene)pent-3-enoic acid?
(Z,2E)-5-ethylimino-2-(iodomethylidene)pent-3-enoic acid has a molecular weight of 279.08 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-5-ethylimino-2-(iodomethylidene)pent-3-enoic acid is sourced from PubChem (CID 155472178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).