2-(2-oxo-1,3-dihydroindol-6-yl)acetic acid

C10H9NO3 — CID 2750259

IUPAC2-(2-oxo-1,3-dihydroindol-6-yl)acetic acid
SMILESO=C(O)Cc1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C10H9NO3/c12-9-5-7-2-1-6(4-10(13)14)3-8(7)11-9/h1-3H,4-5H2,(H,11,12)(H,13,14)
InChIKeySLTMYJVEPKGZTR-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.81
Rot. Bonds2

About 2-(2-oxo-1,3-dihydroindol-6-yl)acetic acid

2-(2-oxo-1,3-dihydroindol-6-yl)acetic acid (PubChem CID 2750259) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-(2-oxo-1,3-dihydroindol-6-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-1,3-dihydroindol-6-yl)acetic acid
PubChem CID2750259
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name2-(2-oxo-1,3-dihydroindol-6-yl)acetic acid
SMILESO=C(O)Cc1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C10H9NO3/c12-9-5-7-2-1-6(4-10(13)14)3-8(7)11-9/h1-3H,4-5H2,(H,11,12)(H,13,14)
InChIKeySLTMYJVEPKGZTR-UHFFFAOYSA-N
XLogP0.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetic acid
CID 59398387
2-(2-oxo-1,3-dihydroindol-6-yl)-N-[(2R)-4-oxo-4-phenylbutan-2-yl]acetamide
CID 124616807
2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82490915
N-[4-[2-(dimethylamino)ethyl]phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide
CID 136529868
4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanoic acid
CID 117337941
2-oxo-1,3-dihydroindole-6-carbonyl chloride
CID 141361971
6-benzoyl-1,3-dihydroindol-2-one
CID 13408231
6-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 128983181
6-[2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 128984479
6-phenyl-1,3-dihydroindol-2-one
CID 10536384
N'-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetohydrazide
CID 116846191
N-[6-(diethylamino)-3-pyridinyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide
CID 75476917

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-dihydroindol-6-yl)acetic acid?
The IUPAC name of 2-(2-oxo-1,3-dihydroindol-6-yl)acetic acid (CID 2750259) is 2-(2-oxo-1,3-dihydroindol-6-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-1,3-dihydroindol-6-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-1,3-dihydroindol-6-yl)acetic acid is O=C(O)Cc1ccc2c(c1)NC(=O)C2.
What is the InChIKey of 2-(2-oxo-1,3-dihydroindol-6-yl)acetic acid?
The InChIKey is SLTMYJVEPKGZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-9-5-7-2-1-6(4-10(13)14)3-8(7)11-9/h1-3H,4-5H2,(H,11,12)(H,13,14).
What are the key properties of 2-(2-oxo-1,3-dihydroindol-6-yl)acetic acid?
2-(2-oxo-1,3-dihydroindol-6-yl)acetic acid has a molecular weight of 191.19 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-dihydroindol-6-yl)acetic acid is sourced from PubChem (CID 2750259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).