1-(oxolan-2-yl)cyclopropane-1-carboxylic acid

C8H12O3 — CID 84716617

IUPAC1-(oxolan-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C2CCCO2)CC1
InChIInChI=1S/C8H12O3/c9-7(10)8(3-4-8)6-2-1-5-11-6/h6H,1-5H2,(H,9,10)
InChIKeyPKEBYMZDMLQXAP-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.03
Rot. Bonds2

About 1-(oxolan-2-yl)cyclopropane-1-carboxylic acid

1-(oxolan-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 84716617) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-(oxolan-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(oxolan-2-yl)cyclopropane-1-carboxylic acid
PubChem CID84716617
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name1-(oxolan-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C2CCCO2)CC1
InChIInChI=1S/C8H12O3/c9-7(10)8(3-4-8)6-2-1-5-11-6/h6H,1-5H2,(H,9,10)
InChIKeyPKEBYMZDMLQXAP-UHFFFAOYSA-N
XLogP1.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(oxolan-2-yl)cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(oxolan-2-yl)cyclopropane-1-carboxylic acid (CID 84716617) is 1-(oxolan-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(oxolan-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(oxolan-2-yl)cyclopropane-1-carboxylic acid is O=C(O)C1(C2CCCO2)CC1.
What is the InChIKey of 1-(oxolan-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is PKEBYMZDMLQXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c9-7(10)8(3-4-8)6-2-1-5-11-6/h6H,1-5H2,(H,9,10).
What are the key properties of 1-(oxolan-2-yl)cyclopropane-1-carboxylic acid?
1-(oxolan-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 156.18 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 84716617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).