(E)-4-(5-methylthiophen-2-yl)pent-3-enoic acid

C10H12O2S — CID 83957677

IUPAC(E)-4-(5-methylthiophen-2-yl)pent-3-enoic acid
SMILESC/C(=C\CC(=O)O)c1ccc(C)s1
InChIInChI=1S/C10H12O2S/c1-7(3-6-10(11)12)9-5-4-8(2)13-9/h3-5H,6H2,1-2H3,(H,11,12)/b7-3+
InChIKeyZUIPJMGZYDWKOX-XVNBXDOJSA-N
MW196.27 g/mol
LogP2.93
Rot. Bonds3

About (E)-4-(5-methylthiophen-2-yl)pent-3-enoic acid

(E)-4-(5-methylthiophen-2-yl)pent-3-enoic acid (PubChem CID 83957677) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is (E)-4-(5-methylthiophen-2-yl)pent-3-enoic acid.

Molecular Properties

Compound Name(E)-4-(5-methylthiophen-2-yl)pent-3-enoic acid
PubChem CID83957677
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name(E)-4-(5-methylthiophen-2-yl)pent-3-enoic acid
SMILESC/C(=C\CC(=O)O)c1ccc(C)s1
InChIInChI=1S/C10H12O2S/c1-7(3-6-10(11)12)9-5-4-8(2)13-9/h3-5H,6H2,1-2H3,(H,11,12)/b7-3+
InChIKeyZUIPJMGZYDWKOX-XVNBXDOJSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(5-methylthiophen-2-yl)pent-2-enoic acid
CID 83957672
2-methyl-3-(5-methylthiophen-2-yl)but-2-enoic acid
CID 79729818
6-(5-methylthiophen-2-yl)-6-oxohexanoic acid
CID 43446803
5-(5-methylthiophen-2-yl)-5-oxopentanoic acid
CID 2760078
(Z)-2-ethyl-3-(5-methylthiophen-2-yl)but-2-enoic acid
CID 165441692
(E)-6-(5-chlorothiophen-2-yl)hept-5-enoic acid
CID 82294528
2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methylthiophene
CID 142216426
(E)-4-(2,6-difluorophenyl)pent-3-enoic acid
CID 83950262
(Z)-2-ethyl-1-(5-methylthiophen-2-yl)but-2-en-1-one
CID 103447536
1-(5-methylthiophen-2-yl)pent-3-yn-1-one
CID 114964957
2-hydroxy-5-[3-(5-methylthiophen-2-yl)but-2-enoylamino]benzoic acid
CID 4901515
4-(4-methoxyphenyl)pent-3-enoic acid
CID 57142531

Frequently Asked Questions

What is the IUPAC name of (E)-4-(5-methylthiophen-2-yl)pent-3-enoic acid?
The IUPAC name of (E)-4-(5-methylthiophen-2-yl)pent-3-enoic acid (CID 83957677) is (E)-4-(5-methylthiophen-2-yl)pent-3-enoic acid.
What is the SMILES notation for (E)-4-(5-methylthiophen-2-yl)pent-3-enoic acid?
The canonical SMILES for (E)-4-(5-methylthiophen-2-yl)pent-3-enoic acid is C/C(=C\CC(=O)O)c1ccc(C)s1.
What is the InChIKey of (E)-4-(5-methylthiophen-2-yl)pent-3-enoic acid?
The InChIKey is ZUIPJMGZYDWKOX-XVNBXDOJSA-N. The full InChI is InChI=1S/C10H12O2S/c1-7(3-6-10(11)12)9-5-4-8(2)13-9/h3-5H,6H2,1-2H3,(H,11,12)/b7-3+.
What are the key properties of (E)-4-(5-methylthiophen-2-yl)pent-3-enoic acid?
(E)-4-(5-methylthiophen-2-yl)pent-3-enoic acid has a molecular weight of 196.27 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(5-methylthiophen-2-yl)pent-3-enoic acid is sourced from PubChem (CID 83957677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).