(4-methoxyphenyl)-(2-oxo-1H-indol-3-ylidene)azanium

C15H13N2O2+ — CID 27858624

IUPAC(4-methoxyphenyl)-(2-oxo-1H-indol-3-ylidene)azanium
SMILESCOc1ccc(/[NH+]=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)16-14-12-4-2-3-5-13(12)17-15(14)18/h2-9H,1H3,(H,16,17,18)/p+1
InChIKeyPXSATUQXASGWQE-UHFFFAOYSA-O
MW253.28 g/mol
LogP0.85
Rot. Bonds2

About (4-methoxyphenyl)-(2-oxo-1H-indol-3-ylidene)azanium

(4-methoxyphenyl)-(2-oxo-1H-indol-3-ylidene)azanium (PubChem CID 27858624) has the molecular formula C15H13N2O2+ and a molecular weight of 253.28 g/mol. Its IUPAC name is (4-methoxyphenyl)-(2-oxo-1H-indol-3-ylidene)azanium.

Molecular Properties

Compound Name(4-methoxyphenyl)-(2-oxo-1H-indol-3-ylidene)azanium
PubChem CID27858624
Molecular FormulaC15H13N2O2+
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name(4-methoxyphenyl)-(2-oxo-1H-indol-3-ylidene)azanium
SMILESCOc1ccc(/[NH+]=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)16-14-12-4-2-3-5-13(12)17-15(14)18/h2-9H,1H3,(H,16,17,18)/p+1
InChIKeyPXSATUQXASGWQE-UHFFFAOYSA-O
XLogP0.85
TPSA52.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (4-methoxyphenyl)-(2-oxo-1H-indol-3-ylidene)azanium?
The IUPAC name of (4-methoxyphenyl)-(2-oxo-1H-indol-3-ylidene)azanium (CID 27858624) is (4-methoxyphenyl)-(2-oxo-1H-indol-3-ylidene)azanium.
What is the SMILES notation for (4-methoxyphenyl)-(2-oxo-1H-indol-3-ylidene)azanium?
The canonical SMILES for (4-methoxyphenyl)-(2-oxo-1H-indol-3-ylidene)azanium is COc1ccc(/[NH+]=C2\C(=O)Nc3ccccc32)cc1.
What is the InChIKey of (4-methoxyphenyl)-(2-oxo-1H-indol-3-ylidene)azanium?
The InChIKey is PXSATUQXASGWQE-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)16-14-12-4-2-3-5-13(12)17-15(14)18/h2-9H,1H3,(H,16,17,18)/p+1.
What are the key properties of (4-methoxyphenyl)-(2-oxo-1H-indol-3-ylidene)azanium?
(4-methoxyphenyl)-(2-oxo-1H-indol-3-ylidene)azanium has a molecular weight of 253.28 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(2-oxo-1H-indol-3-ylidene)azanium is sourced from PubChem (CID 27858624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).