2-(1,2-dihydroquinolin-2-yl)acetic acid

C11H11NO2 — CID 69465194

IUPAC2-(1,2-dihydroquinolin-2-yl)acetic acid
SMILESO=C(O)CC1C=Cc2ccccc2N1
InChIInChI=1S/C11H11NO2/c13-11(14)7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6,9,12H,7H2,(H,13,14)
InChIKeyLJOWXAVFQRZSRJ-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.97
Rot. Bonds2

About 2-(1,2-dihydroquinolin-2-yl)acetic acid

2-(1,2-dihydroquinolin-2-yl)acetic acid (PubChem CID 69465194) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-(1,2-dihydroquinolin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1,2-dihydroquinolin-2-yl)acetic acid
PubChem CID69465194
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-(1,2-dihydroquinolin-2-yl)acetic acid
SMILESO=C(O)CC1C=Cc2ccccc2N1
InChIInChI=1S/C11H11NO2/c13-11(14)7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6,9,12H,7H2,(H,13,14)
InChIKeyLJOWXAVFQRZSRJ-UHFFFAOYSA-N
XLogP1.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroquinolin-2-yl)acetic acid?
The IUPAC name of 2-(1,2-dihydroquinolin-2-yl)acetic acid (CID 69465194) is 2-(1,2-dihydroquinolin-2-yl)acetic acid.
What is the SMILES notation for 2-(1,2-dihydroquinolin-2-yl)acetic acid?
The canonical SMILES for 2-(1,2-dihydroquinolin-2-yl)acetic acid is O=C(O)CC1C=Cc2ccccc2N1.
What is the InChIKey of 2-(1,2-dihydroquinolin-2-yl)acetic acid?
The InChIKey is LJOWXAVFQRZSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-11(14)7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6,9,12H,7H2,(H,13,14).
What are the key properties of 2-(1,2-dihydroquinolin-2-yl)acetic acid?
2-(1,2-dihydroquinolin-2-yl)acetic acid has a molecular weight of 189.21 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroquinolin-2-yl)acetic acid is sourced from PubChem (CID 69465194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).