acetic acid;1,3-dihydroindol-2-one

C10H11NO3 — CID 158067424

IUPACacetic acid;1,3-dihydroindol-2-one
SMILESCC(=O)O.O=C1Cc2ccccc2N1
InChIInChI=1S/C8H7NO.C2H4O2/c10-8-5-6-3-1-2-4-7(6)9-8;1-2(3)4/h1-4H,5H2,(H,9,10);1H3,(H,3,4)
InChIKeyFLKDFBHLJAYHIX-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.27
Rot. Bonds

About acetic acid;1,3-dihydroindol-2-one

acetic acid;1,3-dihydroindol-2-one (PubChem CID 158067424) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is acetic acid;1,3-dihydroindol-2-one.

Molecular Properties

Compound Nameacetic acid;1,3-dihydroindol-2-one
PubChem CID158067424
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Nameacetic acid;1,3-dihydroindol-2-one
SMILESCC(=O)O.O=C1Cc2ccccc2N1
InChIInChI=1S/C8H7NO.C2H4O2/c10-8-5-6-3-1-2-4-7(6)9-8;1-2(3)4/h1-4H,5H2,(H,9,10);1H3,(H,3,4)
InChIKeyFLKDFBHLJAYHIX-UHFFFAOYSA-N
XLogP1.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dihydroindol-2-one;ethane
CID 54350510
1,3-dihydroindol-2-one;trihydrochloride
CID 66960013
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CID 160648154
acetic acid;4H-isoquinoline-1,3-dione
CID 67841209
1,3-dihydroindol-2-one;2-hydroxybutanedioic acid
CID 66903255
1,3-dihydroindol-2-one;imidazolidin-2-one
CID 70182850
4-acetyl-3,3-difluoro-1H-indol-2-one;1,3-dihydroindol-2-one
CID 157257812
1,3-dihydroindol-2-one;pyrrolo[3,2-b]pyrrole
CID 175423185
6-benzoyl-1,3-dihydroindol-2-one
CID 13408231
3,4-dihydro-1H-quinolin-2-one;ethane
CID 90913605
2-(2-oxo-4-propan-2-yl-3,5-dihydro-1H-1-benzazepin-4-yl)propanoic acid
CID 163747765
1,3-dihydroindol-2-one;1,2-dimethylimidazole
CID 143871997

Frequently Asked Questions

What is the IUPAC name of acetic acid;1,3-dihydroindol-2-one?
The IUPAC name of acetic acid;1,3-dihydroindol-2-one (CID 158067424) is acetic acid;1,3-dihydroindol-2-one.
What is the SMILES notation for acetic acid;1,3-dihydroindol-2-one?
The canonical SMILES for acetic acid;1,3-dihydroindol-2-one is CC(=O)O.O=C1Cc2ccccc2N1.
What is the InChIKey of acetic acid;1,3-dihydroindol-2-one?
The InChIKey is FLKDFBHLJAYHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.C2H4O2/c10-8-5-6-3-1-2-4-7(6)9-8;1-2(3)4/h1-4H,5H2,(H,9,10);1H3,(H,3,4).
What are the key properties of acetic acid;1,3-dihydroindol-2-one?
acetic acid;1,3-dihydroindol-2-one has a molecular weight of 193.20 g/mol, XLogP of 1.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1,3-dihydroindol-2-one is sourced from PubChem (CID 158067424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).