4-(6-ethyl-3-pyridinyl)but-3-enoic acid

C11H13NO2 — CID 90846718

IUPAC4-(6-ethyl-3-pyridinyl)but-3-enoic acid
SMILESCCc1ccc(C=CCC(=O)O)cn1
InChIInChI=1S/C11H13NO2/c1-2-10-7-6-9(8-12-10)4-3-5-11(13)14/h3-4,6-8H,2,5H2,1H3,(H,13,14)
InChIKeySQXUJRYXYJLQCK-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.13
Rot. Bonds4

About 4-(6-ethyl-3-pyridinyl)but-3-enoic acid

4-(6-ethyl-3-pyridinyl)but-3-enoic acid (PubChem CID 90846718) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-(6-ethyl-3-pyridinyl)but-3-enoic acid.

Molecular Properties

Compound Name4-(6-ethyl-3-pyridinyl)but-3-enoic acid
PubChem CID90846718
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name4-(6-ethyl-3-pyridinyl)but-3-enoic acid
SMILESCCc1ccc(C=CCC(=O)O)cn1
InChIInChI=1S/C11H13NO2/c1-2-10-7-6-9(8-12-10)4-3-5-11(13)14/h3-4,6-8H,2,5H2,1H3,(H,13,14)
InChIKeySQXUJRYXYJLQCK-UHFFFAOYSA-N
XLogP2.13
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-4-(4-methylphenyl)but-3-enoic acid
CID 94034249
4-pyridin-3-ylbut-3-enoic acid
CID 439
4-(2-methylsulfanylpyrimidin-5-yl)but-3-enoic acid
CID 170483203
(E)-4-(3,4-diethoxyphenyl)but-3-enoic acid
CID 102534267
(E)-4-[4-(6-methoxy-3-pyridinyl)phenyl]but-3-enoic acid
CID 19926608
(E)-4-(4-butylphenyl)but-3-enoic acid
CID 95442446
4-[4-(hydroxymethyl)phenyl]but-3-enoic acid
CID 170483181
4-(3-bromo-4-methylphenyl)but-3-enoic acid
CID 170484571
4-(3-amino-4-methylphenyl)but-3-enoic acid
CID 170483298
(E)-3-[6-[(dimethylamino)methyl]-3-pyridinyl]prop-2-enoic acid
CID 18416271
4-(4-acetyl-3-methylphenyl)but-3-enoic acid
CID 170483854
4-(6-amino-5-methoxy-3-pyridinyl)but-3-enoic acid
CID 170483537

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-3-pyridinyl)but-3-enoic acid?
The IUPAC name of 4-(6-ethyl-3-pyridinyl)but-3-enoic acid (CID 90846718) is 4-(6-ethyl-3-pyridinyl)but-3-enoic acid.
What is the SMILES notation for 4-(6-ethyl-3-pyridinyl)but-3-enoic acid?
The canonical SMILES for 4-(6-ethyl-3-pyridinyl)but-3-enoic acid is CCc1ccc(C=CCC(=O)O)cn1.
What is the InChIKey of 4-(6-ethyl-3-pyridinyl)but-3-enoic acid?
The InChIKey is SQXUJRYXYJLQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-10-7-6-9(8-12-10)4-3-5-11(13)14/h3-4,6-8H,2,5H2,1H3,(H,13,14).
What are the key properties of 4-(6-ethyl-3-pyridinyl)but-3-enoic acid?
4-(6-ethyl-3-pyridinyl)but-3-enoic acid has a molecular weight of 191.23 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-3-pyridinyl)but-3-enoic acid is sourced from PubChem (CID 90846718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).