2-[(3S)-4-hydroxy-2-oxo-1,3-dihydroindol-3-yl]acetonitrile

C10H8N2O2 — CID 162903015

IUPAC2-[(3S)-4-hydroxy-2-oxo-1,3-dihydroindol-3-yl]acetonitrile
SMILESN#CC[C@@H]1C(=O)Nc2cccc(O)c21
InChIInChI=1S/C10H8N2O2/c11-5-4-6-9-7(12-10(6)14)2-1-3-8(9)13/h1-3,6,13H,4H2,(H,12,14)/t6-/m0/s1
InChIKeyKJLUDHCNWCIINR-LURJTMIESA-N
MW188.19 g/mol
LogP1.34
Rot. Bonds1

About 2-[(3S)-4-hydroxy-2-oxo-1,3-dihydroindol-3-yl]acetonitrile

2-[(3S)-4-hydroxy-2-oxo-1,3-dihydroindol-3-yl]acetonitrile (PubChem CID 162903015) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-[(3S)-4-hydroxy-2-oxo-1,3-dihydroindol-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[(3S)-4-hydroxy-2-oxo-1,3-dihydroindol-3-yl]acetonitrile
PubChem CID162903015
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name2-[(3S)-4-hydroxy-2-oxo-1,3-dihydroindol-3-yl]acetonitrile
SMILESN#CC[C@@H]1C(=O)Nc2cccc(O)c21
InChIInChI=1S/C10H8N2O2/c11-5-4-6-9-7(12-10(6)14)2-1-3-8(9)13/h1-3,6,13H,4H2,(H,12,14)/t6-/m0/s1
InChIKeyKJLUDHCNWCIINR-LURJTMIESA-N
XLogP1.34
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-hydroxy-2-oxo-1,3-dihydroindol-3-yl]acetonitrile?
The IUPAC name of 2-[(3S)-4-hydroxy-2-oxo-1,3-dihydroindol-3-yl]acetonitrile (CID 162903015) is 2-[(3S)-4-hydroxy-2-oxo-1,3-dihydroindol-3-yl]acetonitrile.
What is the SMILES notation for 2-[(3S)-4-hydroxy-2-oxo-1,3-dihydroindol-3-yl]acetonitrile?
The canonical SMILES for 2-[(3S)-4-hydroxy-2-oxo-1,3-dihydroindol-3-yl]acetonitrile is N#CC[C@@H]1C(=O)Nc2cccc(O)c21.
What is the InChIKey of 2-[(3S)-4-hydroxy-2-oxo-1,3-dihydroindol-3-yl]acetonitrile?
The InChIKey is KJLUDHCNWCIINR-LURJTMIESA-N. The full InChI is InChI=1S/C10H8N2O2/c11-5-4-6-9-7(12-10(6)14)2-1-3-8(9)13/h1-3,6,13H,4H2,(H,12,14)/t6-/m0/s1.
What are the key properties of 2-[(3S)-4-hydroxy-2-oxo-1,3-dihydroindol-3-yl]acetonitrile?
2-[(3S)-4-hydroxy-2-oxo-1,3-dihydroindol-3-yl]acetonitrile has a molecular weight of 188.19 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-hydroxy-2-oxo-1,3-dihydroindol-3-yl]acetonitrile is sourced from PubChem (CID 162903015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).