(E)-2-[(Z)-prop-1-enyl]pent-2-enoic acid

C8H12O2 — CID 10240888

IUPAC(E)-2-[(Z)-prop-1-enyl]pent-2-enoic acid
SMILESC/C=C\C(=C/CC)C(=O)O
InChIInChI=1S/C8H12O2/c1-3-5-7(6-4-2)8(9)10/h3,5-6H,4H2,1-2H3,(H,9,10)/b5-3-,7-6+
InChIKeyKFKPLKATEHNYRP-AIJKMKQJSA-N
MW140.18 g/mol
LogP1.98
Rot. Bonds3

About (E)-2-[(Z)-prop-1-enyl]pent-2-enoic acid

(E)-2-[(Z)-prop-1-enyl]pent-2-enoic acid (PubChem CID 10240888) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (E)-2-[(Z)-prop-1-enyl]pent-2-enoic acid.

Molecular Properties

Compound Name(E)-2-[(Z)-prop-1-enyl]pent-2-enoic acid
PubChem CID10240888
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(E)-2-[(Z)-prop-1-enyl]pent-2-enoic acid
SMILESC/C=C\C(=C/CC)C(=O)O
InChIInChI=1S/C8H12O2/c1-3-5-7(6-4-2)8(9)10/h3,5-6H,4H2,1-2H3,(H,9,10)/b5-3-,7-6+
InChIKeyKFKPLKATEHNYRP-AIJKMKQJSA-N
XLogP1.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.98
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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Frequently Asked Questions

What is the IUPAC name of (E)-2-[(Z)-prop-1-enyl]pent-2-enoic acid?
The IUPAC name of (E)-2-[(Z)-prop-1-enyl]pent-2-enoic acid (CID 10240888) is (E)-2-[(Z)-prop-1-enyl]pent-2-enoic acid.
What is the SMILES notation for (E)-2-[(Z)-prop-1-enyl]pent-2-enoic acid?
The canonical SMILES for (E)-2-[(Z)-prop-1-enyl]pent-2-enoic acid is C/C=C\C(=C/CC)C(=O)O.
What is the InChIKey of (E)-2-[(Z)-prop-1-enyl]pent-2-enoic acid?
The InChIKey is KFKPLKATEHNYRP-AIJKMKQJSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-5-7(6-4-2)8(9)10/h3,5-6H,4H2,1-2H3,(H,9,10)/b5-3-,7-6+.
What are the key properties of (E)-2-[(Z)-prop-1-enyl]pent-2-enoic acid?
(E)-2-[(Z)-prop-1-enyl]pent-2-enoic acid has a molecular weight of 140.18 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(Z)-prop-1-enyl]pent-2-enoic acid is sourced from PubChem (CID 10240888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).