1-cyclopropylcyclopent-3-ene-1-carboxylic acid

C9H12O2 — CID 155943484

IUPAC1-cyclopropylcyclopent-3-ene-1-carboxylic acid
SMILESO=C(O)C1(C2CC2)CC=CC1
InChIInChI=1S/C9H12O2/c10-8(11)9(7-3-4-7)5-1-2-6-9/h1-2,7H,3-6H2,(H,10,11)
InChIKeyWZYQWSLDRGYGAX-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.82
Rot. Bonds2

About 1-cyclopropylcyclopent-3-ene-1-carboxylic acid

1-cyclopropylcyclopent-3-ene-1-carboxylic acid (PubChem CID 155943484) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-cyclopropylcyclopent-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropylcyclopent-3-ene-1-carboxylic acid
PubChem CID155943484
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name1-cyclopropylcyclopent-3-ene-1-carboxylic acid
SMILESO=C(O)C1(C2CC2)CC=CC1
InChIInChI=1S/C9H12O2/c10-8(11)9(7-3-4-7)5-1-2-6-9/h1-2,7H,3-6H2,(H,10,11)
InChIKeyWZYQWSLDRGYGAX-UHFFFAOYSA-N
XLogP1.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.82
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-cyclopropylcyclopent-3-ene-1-carboxylic acid?
The IUPAC name of 1-cyclopropylcyclopent-3-ene-1-carboxylic acid (CID 155943484) is 1-cyclopropylcyclopent-3-ene-1-carboxylic acid.
What is the SMILES notation for 1-cyclopropylcyclopent-3-ene-1-carboxylic acid?
The canonical SMILES for 1-cyclopropylcyclopent-3-ene-1-carboxylic acid is O=C(O)C1(C2CC2)CC=CC1.
What is the InChIKey of 1-cyclopropylcyclopent-3-ene-1-carboxylic acid?
The InChIKey is WZYQWSLDRGYGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c10-8(11)9(7-3-4-7)5-1-2-6-9/h1-2,7H,3-6H2,(H,10,11).
What are the key properties of 1-cyclopropylcyclopent-3-ene-1-carboxylic acid?
1-cyclopropylcyclopent-3-ene-1-carboxylic acid has a molecular weight of 152.19 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylcyclopent-3-ene-1-carboxylic acid is sourced from PubChem (CID 155943484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).