2-[(1S)-cyclopent-2-en-1-yl]acetic acid

C7H10O2 — CID 6951302

IUPAC2-[(1S)-cyclopent-2-en-1-yl]acetic acid
SMILESO=C(O)C[C@H]1C=CCC1
InChIInChI=1S/C7H10O2/c8-7(9)5-6-3-1-2-4-6/h1,3,6H,2,4-5H2,(H,8,9)/t6-/m0/s1
InChIKeyNNRZTJAACCRFRV-LURJTMIESA-N
MW126.15 g/mol
LogP1.43
Rot. Bonds2

About 2-[(1S)-cyclopent-2-en-1-yl]acetic acid

2-[(1S)-cyclopent-2-en-1-yl]acetic acid (PubChem CID 6951302) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]acetic acid
PubChem CID6951302
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]acetic acid
SMILESO=C(O)C[C@H]1C=CCC1
InChIInChI=1S/C7H10O2/c8-7(9)5-6-3-1-2-4-6/h1,3,6H,2,4-5H2,(H,8,9)/t6-/m0/s1
InChIKeyNNRZTJAACCRFRV-LURJTMIESA-N
XLogP1.43
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 ≤ 51.43
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 2-[(1S)-cyclopent-2-en-1-yl]acetic acid?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]acetic acid (CID 6951302) is 2-[(1S)-cyclopent-2-en-1-yl]acetic acid.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]acetic acid?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]acetic acid is O=C(O)C[C@H]1C=CCC1.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]acetic acid?
The InChIKey is NNRZTJAACCRFRV-LURJTMIESA-N. The full InChI is InChI=1S/C7H10O2/c8-7(9)5-6-3-1-2-4-6/h1,3,6H,2,4-5H2,(H,8,9)/t6-/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]acetic acid?
2-[(1S)-cyclopent-2-en-1-yl]acetic acid has a molecular weight of 126.15 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]acetic acid is sourced from PubChem (CID 6951302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).