2-quinolin-3-ylcyclopropane-1-carboxylic acid

C13H11NO2 — CID 67290101

IUPAC2-quinolin-3-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1cnc2ccccc2c1
InChIInChI=1S/C13H11NO2/c15-13(16)11-6-10(11)9-5-8-3-1-2-4-12(8)14-7-9/h1-5,7,10-11H,6H2,(H,15,16)
InChIKeyHEGGYZWZZIZWIP-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.42
Rot. Bonds2

About 2-quinolin-3-ylcyclopropane-1-carboxylic acid

2-quinolin-3-ylcyclopropane-1-carboxylic acid (PubChem CID 67290101) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-quinolin-3-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-quinolin-3-ylcyclopropane-1-carboxylic acid
PubChem CID67290101
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name2-quinolin-3-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1cnc2ccccc2c1
InChIInChI=1S/C13H11NO2/c15-13(16)11-6-10(11)9-5-8-3-1-2-4-12(8)14-7-9/h1-5,7,10-11H,6H2,(H,15,16)
InChIKeyHEGGYZWZZIZWIP-UHFFFAOYSA-N
XLogP2.42
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-3-ylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-quinolin-3-ylcyclopropane-1-carboxylic acid (CID 67290101) is 2-quinolin-3-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-quinolin-3-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-quinolin-3-ylcyclopropane-1-carboxylic acid is O=C(O)C1CC1c1cnc2ccccc2c1.
What is the InChIKey of 2-quinolin-3-ylcyclopropane-1-carboxylic acid?
The InChIKey is HEGGYZWZZIZWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c15-13(16)11-6-10(11)9-5-8-3-1-2-4-12(8)14-7-9/h1-5,7,10-11H,6H2,(H,15,16).
What are the key properties of 2-quinolin-3-ylcyclopropane-1-carboxylic acid?
2-quinolin-3-ylcyclopropane-1-carboxylic acid has a molecular weight of 213.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-3-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 67290101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).