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

C9H14O2 — CID 23230545

IUPAC(E)-3-cyclopentylbut-2-enoic acid
SMILESC/C(=C\C(=O)O)C1CCCC1
InChIInChI=1S/C9H14O2/c1-7(6-9(10)11)8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,10,11)/b7-6+
InChIKeyUONXWLVBHCCAIP-VOTSOKGWSA-N
MW154.21 g/mol
LogP2.21
Rot. Bonds2

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

(E)-3-cyclopentylbut-2-enoic acid (PubChem CID 23230545) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (E)-3-cyclopentylbut-2-enoic acid.

Molecular Properties

Compound Name(E)-3-cyclopentylbut-2-enoic acid
PubChem CID23230545
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(E)-3-cyclopentylbut-2-enoic acid
SMILESC/C(=C\C(=O)O)C1CCCC1
InChIInChI=1S/C9H14O2/c1-7(6-9(10)11)8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,10,11)/b7-6+
InChIKeyUONXWLVBHCCAIP-VOTSOKGWSA-N
XLogP2.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclopentylbut-2-enoic acid?
The IUPAC name of (E)-3-cyclopentylbut-2-enoic acid (CID 23230545) is (E)-3-cyclopentylbut-2-enoic acid.
What is the SMILES notation for (E)-3-cyclopentylbut-2-enoic acid?
The canonical SMILES for (E)-3-cyclopentylbut-2-enoic acid is C/C(=C\C(=O)O)C1CCCC1.
What is the InChIKey of (E)-3-cyclopentylbut-2-enoic acid?
The InChIKey is UONXWLVBHCCAIP-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H14O2/c1-7(6-9(10)11)8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,10,11)/b7-6+.
What are the key properties of (E)-3-cyclopentylbut-2-enoic acid?
(E)-3-cyclopentylbut-2-enoic acid has a molecular weight of 154.21 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclopentylbut-2-enoic acid is sourced from PubChem (CID 23230545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).