acetic acid;1H-quinolin-2-one

C11H11NO3 — CID 71436806

IUPACacetic acid;1H-quinolin-2-one
SMILESCC(=O)O.O=c1ccc2ccccc2[nH]1
InChIInChI=1S/C9H7NO.C2H4O2/c11-9-6-5-7-3-1-2-4-8(7)10-9;1-2(3)4/h1-6H,(H,10,11);1H3,(H,3,4)
InChIKeyIQJOOAQPMQDECI-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.62
Rot. Bonds

About acetic acid;1H-quinolin-2-one

acetic acid;1H-quinolin-2-one (PubChem CID 71436806) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is acetic acid;1H-quinolin-2-one.

Molecular Properties

Compound Nameacetic acid;1H-quinolin-2-one
PubChem CID71436806
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Nameacetic acid;1H-quinolin-2-one
SMILESCC(=O)O.O=c1ccc2ccccc2[nH]1
InChIInChI=1S/C9H7NO.C2H4O2/c11-9-6-5-7-3-1-2-4-8(7)10-9;1-2(3)4/h1-6H,(H,10,11);1H3,(H,3,4)
InChIKeyIQJOOAQPMQDECI-UHFFFAOYSA-N
XLogP1.62
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1H-quinolin-2-one?
The IUPAC name of acetic acid;1H-quinolin-2-one (CID 71436806) is acetic acid;1H-quinolin-2-one.
What is the SMILES notation for acetic acid;1H-quinolin-2-one?
The canonical SMILES for acetic acid;1H-quinolin-2-one is CC(=O)O.O=c1ccc2ccccc2[nH]1.
What is the InChIKey of acetic acid;1H-quinolin-2-one?
The InChIKey is IQJOOAQPMQDECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO.C2H4O2/c11-9-6-5-7-3-1-2-4-8(7)10-9;1-2(3)4/h1-6H,(H,10,11);1H3,(H,3,4).
What are the key properties of acetic acid;1H-quinolin-2-one?
acetic acid;1H-quinolin-2-one has a molecular weight of 205.21 g/mol, XLogP of 1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1H-quinolin-2-one is sourced from PubChem (CID 71436806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).