7-chloro-1-oxido-2-phenylindol-1-ium-3-one

C14H8ClNO2 — CID 177414044

IUPAC7-chloro-1-oxido-2-phenylindol-1-ium-3-one
SMILESO=C1C(c2ccccc2)=[N+]([O-])c2c(Cl)cccc21
InChIInChI=1S/C14H8ClNO2/c15-11-8-4-7-10-13(11)16(18)12(14(10)17)9-5-2-1-3-6-9/h1-8H
InChIKeyFKBGTPBQDBJEEI-UHFFFAOYSA-N
MW257.68 g/mol
LogP3.17
Rot. Bonds1

About 7-chloro-1-oxido-2-phenylindol-1-ium-3-one

7-chloro-1-oxido-2-phenylindol-1-ium-3-one (PubChem CID 177414044) has the molecular formula C14H8ClNO2 and a molecular weight of 257.68 g/mol. Its IUPAC name is 7-chloro-1-oxido-2-phenylindol-1-ium-3-one.

Molecular Properties

Compound Name7-chloro-1-oxido-2-phenylindol-1-ium-3-one
PubChem CID177414044
Molecular FormulaC14H8ClNO2
Molecular Weight257.68 g/mol
Exact Mass257.02
IUPAC Name7-chloro-1-oxido-2-phenylindol-1-ium-3-one
SMILESO=C1C(c2ccccc2)=[N+]([O-])c2c(Cl)cccc21
InChIInChI=1S/C14H8ClNO2/c15-11-8-4-7-10-13(11)16(18)12(14(10)17)9-5-2-1-3-6-9/h1-8H
InChIKeyFKBGTPBQDBJEEI-UHFFFAOYSA-N
XLogP3.17
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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1,5-dichloro-10-methylideneanthracen-9-one
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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-oxido-2-phenylindol-1-ium-3-one?
The IUPAC name of 7-chloro-1-oxido-2-phenylindol-1-ium-3-one (CID 177414044) is 7-chloro-1-oxido-2-phenylindol-1-ium-3-one.
What is the SMILES notation for 7-chloro-1-oxido-2-phenylindol-1-ium-3-one?
The canonical SMILES for 7-chloro-1-oxido-2-phenylindol-1-ium-3-one is O=C1C(c2ccccc2)=[N+]([O-])c2c(Cl)cccc21.
What is the InChIKey of 7-chloro-1-oxido-2-phenylindol-1-ium-3-one?
The InChIKey is FKBGTPBQDBJEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO2/c15-11-8-4-7-10-13(11)16(18)12(14(10)17)9-5-2-1-3-6-9/h1-8H.
What are the key properties of 7-chloro-1-oxido-2-phenylindol-1-ium-3-one?
7-chloro-1-oxido-2-phenylindol-1-ium-3-one has a molecular weight of 257.68 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-oxido-2-phenylindol-1-ium-3-one is sourced from PubChem (CID 177414044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).