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

C7H10O2 — CID 162183190

IUPAC(2E)-2-ethylidenepent-3-enoic acid
SMILESCC=C/C(=C\C)C(=O)O
InChIInChI=1S/C7H10O2/c1-3-5-6(4-2)7(8)9/h3-5H,1-2H3,(H,8,9)/b5-3?,6-4+
InChIKeyZZKDXEMXOLSEMB-QEKUZXLOSA-N
MW126.15 g/mol
LogP1.59
Rot. Bonds2

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

(2E)-2-ethylidenepent-3-enoic acid (PubChem CID 162183190) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (2E)-2-ethylidenepent-3-enoic acid.

Molecular Properties

Compound Name(2E)-2-ethylidenepent-3-enoic acid
PubChem CID162183190
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(2E)-2-ethylidenepent-3-enoic acid
SMILESCC=C/C(=C\C)C(=O)O
InChIInChI=1S/C7H10O2/c1-3-5-6(4-2)7(8)9/h3-5H,1-2H3,(H,8,9)/b5-3?,6-4+
InChIKeyZZKDXEMXOLSEMB-QEKUZXLOSA-N
XLogP1.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-prop-1-enylbut-2-enedioic acid
CID 57025345
(E)-2-[(E)-prop-1-enyl]pent-2-enoic acid
CID 14178880
(E)-2-(methylboranylidenemethyl)but-2-enoic acid
CID 145178417
(E)-but-2-enoic acid
CID 637090
hepta-2,5-dien-4-one
CID 54179619
2-prop-1-enylundec-2-enoic acid
CID 142785547
(Z)-but-2-ene;(Z)-but-2-enoic acid
CID 158994925
(Z)-but-2-enoic acid;yttrium
CID 58782397
2-ethylidene-5,6,6-trimethylhept-3-enoic acid
CID 90759385
(2E,4E)-2-[(Z)-prop-1-enyl]-4-sulfinooxyhexa-2,4-dienoic acid
CID 169241881
(2E)-2-ethylidene-N-[(2E)-4-hydroxyhexa-2,4-dien-3-yl]pent-3-enamide
CID 173486149
(2E,4E)-2-[(E)-prop-1-enyl]nona-2,4-dienoic acid
CID 143619943

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidenepent-3-enoic acid?
The IUPAC name of (2E)-2-ethylidenepent-3-enoic acid (CID 162183190) is (2E)-2-ethylidenepent-3-enoic acid.
What is the SMILES notation for (2E)-2-ethylidenepent-3-enoic acid?
The canonical SMILES for (2E)-2-ethylidenepent-3-enoic acid is CC=C/C(=C\C)C(=O)O.
What is the InChIKey of (2E)-2-ethylidenepent-3-enoic acid?
The InChIKey is ZZKDXEMXOLSEMB-QEKUZXLOSA-N. The full InChI is InChI=1S/C7H10O2/c1-3-5-6(4-2)7(8)9/h3-5H,1-2H3,(H,8,9)/b5-3?,6-4+.
What are the key properties of (2E)-2-ethylidenepent-3-enoic acid?
(2E)-2-ethylidenepent-3-enoic acid has a molecular weight of 126.15 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidenepent-3-enoic acid is sourced from PubChem (CID 162183190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).