1-[(E)-but-2-enyl]cyclopent-3-ene-1-carboxylic acid

C10H14O2 — CID 164645836

IUPAC1-[(E)-but-2-enyl]cyclopent-3-ene-1-carboxylic acid
SMILESC/C=C/CC1(C(=O)O)CC=CC1
InChIInChI=1S/C10H14O2/c1-2-3-6-10(9(11)12)7-4-5-8-10/h2-5H,6-8H2,1H3,(H,11,12)/b3-2+
InChIKeyRIMOKYOFZQSRDG-NSCUHMNNSA-N
MW166.22 g/mol
LogP2.37
Rot. Bonds3

About 1-[(E)-but-2-enyl]cyclopent-3-ene-1-carboxylic acid

1-[(E)-but-2-enyl]cyclopent-3-ene-1-carboxylic acid (PubChem CID 164645836) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]cyclopent-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]cyclopent-3-ene-1-carboxylic acid
PubChem CID164645836
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-[(E)-but-2-enyl]cyclopent-3-ene-1-carboxylic acid
SMILESC/C=C/CC1(C(=O)O)CC=CC1
InChIInChI=1S/C10H14O2/c1-2-3-6-10(9(11)12)7-4-5-8-10/h2-5H,6-8H2,1H3,(H,11,12)/b3-2+
InChIKeyRIMOKYOFZQSRDG-NSCUHMNNSA-N
XLogP2.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]cyclopent-3-ene-1-carboxylic acid?
The IUPAC name of 1-[(E)-but-2-enyl]cyclopent-3-ene-1-carboxylic acid (CID 164645836) is 1-[(E)-but-2-enyl]cyclopent-3-ene-1-carboxylic acid.
What is the SMILES notation for 1-[(E)-but-2-enyl]cyclopent-3-ene-1-carboxylic acid?
The canonical SMILES for 1-[(E)-but-2-enyl]cyclopent-3-ene-1-carboxylic acid is C/C=C/CC1(C(=O)O)CC=CC1.
What is the InChIKey of 1-[(E)-but-2-enyl]cyclopent-3-ene-1-carboxylic acid?
The InChIKey is RIMOKYOFZQSRDG-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-3-6-10(9(11)12)7-4-5-8-10/h2-5H,6-8H2,1H3,(H,11,12)/b3-2+.
What are the key properties of 1-[(E)-but-2-enyl]cyclopent-3-ene-1-carboxylic acid?
1-[(E)-but-2-enyl]cyclopent-3-ene-1-carboxylic acid has a molecular weight of 166.22 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]cyclopent-3-ene-1-carboxylic acid is sourced from PubChem (CID 164645836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).