(E)-4-ethylimino-2-methylpent-2-enoic acid

C8H13NO2 — CID 138509535

IUPAC(E)-4-ethylimino-2-methylpent-2-enoic acid
SMILESCC/N=C(C)/C=C(\C)C(=O)O
InChIInChI=1S/C8H13NO2/c1-4-9-7(3)5-6(2)8(10)11/h5H,4H2,1-3H3,(H,10,11)/b6-5+,9-7+
InChIKeyGWHOULHVPHFVRC-SBIWHPGTSA-N
MW155.20 g/mol
LogP1.50
Rot. Bonds3

About (E)-4-ethylimino-2-methylpent-2-enoic acid

(E)-4-ethylimino-2-methylpent-2-enoic acid (PubChem CID 138509535) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (E)-4-ethylimino-2-methylpent-2-enoic acid.

Molecular Properties

Compound Name(E)-4-ethylimino-2-methylpent-2-enoic acid
PubChem CID138509535
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(E)-4-ethylimino-2-methylpent-2-enoic acid
SMILESCC/N=C(C)/C=C(\C)C(=O)O
InChIInChI=1S/C8H13NO2/c1-4-9-7(3)5-6(2)8(10)11/h5H,4H2,1-3H3,(H,10,11)/b6-5+,9-7+
InChIKeyGWHOULHVPHFVRC-SBIWHPGTSA-N
XLogP1.50
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-ethylimino-2-methylpent-2-enoic acid?
The IUPAC name of (E)-4-ethylimino-2-methylpent-2-enoic acid (CID 138509535) is (E)-4-ethylimino-2-methylpent-2-enoic acid.
What is the SMILES notation for (E)-4-ethylimino-2-methylpent-2-enoic acid?
The canonical SMILES for (E)-4-ethylimino-2-methylpent-2-enoic acid is CC/N=C(C)/C=C(\C)C(=O)O.
What is the InChIKey of (E)-4-ethylimino-2-methylpent-2-enoic acid?
The InChIKey is GWHOULHVPHFVRC-SBIWHPGTSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4-9-7(3)5-6(2)8(10)11/h5H,4H2,1-3H3,(H,10,11)/b6-5+,9-7+.
What are the key properties of (E)-4-ethylimino-2-methylpent-2-enoic acid?
(E)-4-ethylimino-2-methylpent-2-enoic acid has a molecular weight of 155.20 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethylimino-2-methylpent-2-enoic acid is sourced from PubChem (CID 138509535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).