(3Z)-3-phenylmethoxyimino-1H-indol-2-one

C15H12N2O2 — CID 135710726

IUPAC(3Z)-3-phenylmethoxyimino-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/OCc1ccccc1
InChIInChI=1S/C15H12N2O2/c18-15-14(12-8-4-5-9-13(12)16-15)17-19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18)
InChIKeyOWOICKFJEHCGAR-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.56
Rot. Bonds3

About (3Z)-3-phenylmethoxyimino-1H-indol-2-one

(3Z)-3-phenylmethoxyimino-1H-indol-2-one (PubChem CID 135710726) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is (3Z)-3-phenylmethoxyimino-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-phenylmethoxyimino-1H-indol-2-one
PubChem CID135710726
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name(3Z)-3-phenylmethoxyimino-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/OCc1ccccc1
InChIInChI=1S/C15H12N2O2/c18-15-14(12-8-4-5-9-13(12)16-15)17-19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18)
InChIKeyOWOICKFJEHCGAR-UHFFFAOYSA-N
XLogP2.56
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-phenylmethoxyimino-1H-indol-2-one?
The IUPAC name of (3Z)-3-phenylmethoxyimino-1H-indol-2-one (CID 135710726) is (3Z)-3-phenylmethoxyimino-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-phenylmethoxyimino-1H-indol-2-one?
The canonical SMILES for (3Z)-3-phenylmethoxyimino-1H-indol-2-one is O=C1Nc2ccccc2/C1=N/OCc1ccccc1.
What is the InChIKey of (3Z)-3-phenylmethoxyimino-1H-indol-2-one?
The InChIKey is OWOICKFJEHCGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-15-14(12-8-4-5-9-13(12)16-15)17-19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18).
What are the key properties of (3Z)-3-phenylmethoxyimino-1H-indol-2-one?
(3Z)-3-phenylmethoxyimino-1H-indol-2-one has a molecular weight of 252.27 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-phenylmethoxyimino-1H-indol-2-one is sourced from PubChem (CID 135710726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).