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

C12H13NO6 — CID 66903255

IUPAC1,3-dihydroindol-2-one;2-hydroxybutanedioic acid
SMILESO=C(O)CC(O)C(=O)O.O=C1Cc2ccccc2N1
InChIInChI=1S/C8H7NO.C4H6O5/c10-8-5-6-3-1-2-4-7(6)9-8;5-2(4(8)9)1-3(6)7/h1-4H,5H2,(H,9,10);2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyFFNDYDKHJWJUGB-UHFFFAOYSA-N
MW267.24 g/mol
LogP0.09
Rot. Bonds3

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

1,3-dihydroindol-2-one;2-hydroxybutanedioic acid (PubChem CID 66903255) has the molecular formula C12H13NO6 and a molecular weight of 267.24 g/mol. Its IUPAC name is 1,3-dihydroindol-2-one;2-hydroxybutanedioic acid.

Molecular Properties

Compound Name1,3-dihydroindol-2-one;2-hydroxybutanedioic acid
PubChem CID66903255
Molecular FormulaC12H13NO6
Molecular Weight267.24 g/mol
Exact Mass267.07
IUPAC Name1,3-dihydroindol-2-one;2-hydroxybutanedioic acid
SMILESO=C(O)CC(O)C(=O)O.O=C1Cc2ccccc2N1
InChIInChI=1S/C8H7NO.C4H6O5/c10-8-5-6-3-1-2-4-7(6)9-8;5-2(4(8)9)1-3(6)7/h1-4H,5H2,(H,9,10);2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyFFNDYDKHJWJUGB-UHFFFAOYSA-N
XLogP0.09
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

acetic acid;1,3-dihydroindol-2-one
CID 158067424
1,3-dihydroindol-2-one;trihydrochloride
CID 66960013
1,3-dihydroindol-2-one;ethane
CID 54350510
1,3-dihydroindol-2-one;sulfamide
CID 160648154
1,3-dihydroindol-2-one;imidazolidin-2-one
CID 70182850
3,4-dihydroxy-4-(2-oxo-1,3-dihydroindol-7-yl)butanoic acid
CID 171877907
2-(2-oxo-4-propan-2-yl-3,5-dihydro-1H-1-benzazepin-4-yl)propanoic acid
CID 163747765
2-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetic acid
CID 61328207
2-(2-oxo-1,3-dihydroindol-6-yl)acetic acid
CID 2750259
3-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid
CID 82116150
1,3-dihydroindol-2-one;pyrrolo[3,2-b]pyrrole
CID 175423185
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(2S)-2-hydroxybutanedioic acid
CID 175921320

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroindol-2-one;2-hydroxybutanedioic acid?
The IUPAC name of 1,3-dihydroindol-2-one;2-hydroxybutanedioic acid (CID 66903255) is 1,3-dihydroindol-2-one;2-hydroxybutanedioic acid.
What is the SMILES notation for 1,3-dihydroindol-2-one;2-hydroxybutanedioic acid?
The canonical SMILES for 1,3-dihydroindol-2-one;2-hydroxybutanedioic acid is O=C(O)CC(O)C(=O)O.O=C1Cc2ccccc2N1.
What is the InChIKey of 1,3-dihydroindol-2-one;2-hydroxybutanedioic acid?
The InChIKey is FFNDYDKHJWJUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.C4H6O5/c10-8-5-6-3-1-2-4-7(6)9-8;5-2(4(8)9)1-3(6)7/h1-4H,5H2,(H,9,10);2,5H,1H2,(H,6,7)(H,8,9).
What are the key properties of 1,3-dihydroindol-2-one;2-hydroxybutanedioic acid?
1,3-dihydroindol-2-one;2-hydroxybutanedioic acid has a molecular weight of 267.24 g/mol, XLogP of 0.09, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroindol-2-one;2-hydroxybutanedioic acid is sourced from PubChem (CID 66903255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).