acetic acid;quinoline

C11H11NO2 — CID 67159702

IUPACacetic acid;quinoline
SMILESCC(=O)O.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C2H4O2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2(3)4/h1-7H;1H3,(H,3,4)
InChIKeyFTMZKLAQERTADZ-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.33
Rot. Bonds

About acetic acid;quinoline

acetic acid;quinoline (PubChem CID 67159702) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is acetic acid;quinoline.

Molecular Properties

Compound Nameacetic acid;quinoline
PubChem CID67159702
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Nameacetic acid;quinoline
SMILESCC(=O)O.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C2H4O2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2(3)4/h1-7H;1H3,(H,3,4)
InChIKeyFTMZKLAQERTADZ-UHFFFAOYSA-N
XLogP2.33
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

carbonic acid;quinoline
CID 23206844
CID 174778702
CID 174778702
ethane;methanol;quinoline
CID 90686502
quinoline
CID 76974643
1-pyridin-2-ylethanone;quinoline
CID 175538468
2,2-dichloroacetic acid;quinoline
CID 173189076
quinoline;tetramethylsilane
CID 91292784
osmium(2+);quinoline
CID 158407120
hydron;quinoline
CID 131854096
quinoline;silver
CID 88761492
CID 175273158
CID 175273158
CID 159709187
CID 159709187

Frequently Asked Questions

What is the IUPAC name of acetic acid;quinoline?
The IUPAC name of acetic acid;quinoline (CID 67159702) is acetic acid;quinoline.
What is the SMILES notation for acetic acid;quinoline?
The canonical SMILES for acetic acid;quinoline is CC(=O)O.c1ccc2ncccc2c1.
What is the InChIKey of acetic acid;quinoline?
The InChIKey is FTMZKLAQERTADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C2H4O2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2(3)4/h1-7H;1H3,(H,3,4).
What are the key properties of acetic acid;quinoline?
acetic acid;quinoline has a molecular weight of 189.21 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;quinoline is sourced from PubChem (CID 67159702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).