2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid

C17H14N2O3 — CID 91139489

IUPAC2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(/N=C/C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H14N2O3/c20-16(21)9-11-5-7-12(8-6-11)18-10-14-13-3-1-2-4-15(13)19-17(14)22/h1-8,10,14H,9H2,(H,19,22)(H,20,21)/b18-10+
InChIKeyWWIXNVZGXLNUTE-VCHYOVAHSA-N
MW294.31 g/mol
LogP2.75
Rot. Bonds4

About 2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid

2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid (PubChem CID 91139489) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid
PubChem CID91139489
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(/N=C/C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H14N2O3/c20-16(21)9-11-5-7-12(8-6-11)18-10-14-13-3-1-2-4-15(13)19-17(14)22/h1-8,10,14H,9H2,(H,19,22)(H,20,21)/b18-10+
InChIKeyWWIXNVZGXLNUTE-VCHYOVAHSA-N
XLogP2.75
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid (CID 91139489) is 2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid is O=C(O)Cc1ccc(/N=C/C2C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid?
The InChIKey is WWIXNVZGXLNUTE-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-16(21)9-11-5-7-12(8-6-11)18-10-14-13-3-1-2-4-15(13)19-17(14)22/h1-8,10,14H,9H2,(H,19,22)(H,20,21)/b18-10+.
What are the key properties of 2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid?
2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid has a molecular weight of 294.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid is sourced from PubChem (CID 91139489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).