2-(9H-indeno[2,1-b]pyridin-1-ium-1-yl)-1-phenylethanone

C20H16NO+ — CID 12578832

IUPAC2-(9H-indeno[2,1-b]pyridin-1-ium-1-yl)-1-phenylethanone
SMILESO=C(C[n+]1cccc2c1Cc1ccccc1-2)c1ccccc1
InChIInChI=1S/C20H16NO/c22-20(15-7-2-1-3-8-15)14-21-12-6-11-18-17-10-5-4-9-16(17)13-19(18)21/h1-12H,13-14H2/q+1
InChIKeyJNZVSTMXIGMJSO-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.43
Rot. Bonds3

About 2-(9H-indeno[2,1-b]pyridin-1-ium-1-yl)-1-phenylethanone

2-(9H-indeno[2,1-b]pyridin-1-ium-1-yl)-1-phenylethanone (PubChem CID 12578832) has the molecular formula C20H16NO+ and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-(9H-indeno[2,1-b]pyridin-1-ium-1-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(9H-indeno[2,1-b]pyridin-1-ium-1-yl)-1-phenylethanone
PubChem CID12578832
Molecular FormulaC20H16NO+
Molecular Weight286.35 g/mol
Exact Mass286.12
IUPAC Name2-(9H-indeno[2,1-b]pyridin-1-ium-1-yl)-1-phenylethanone
SMILESO=C(C[n+]1cccc2c1Cc1ccccc1-2)c1ccccc1
InChIInChI=1S/C20H16NO/c22-20(15-7-2-1-3-8-15)14-21-12-6-11-18-17-10-5-4-9-16(17)13-19(18)21/h1-12H,13-14H2/q+1
InChIKeyJNZVSTMXIGMJSO-UHFFFAOYSA-N
XLogP3.43
TPSA20.95 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(9H-fluoren-2-yl)-2-(2-methylpyridin-1-ium-1-yl)ethanone;hydrobromide
CID 126960798
1-(9H-indeno[2,1-b]pyridin-1-ium-1-yl)ethanone chloride
CID 13142696
1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione
CID 132527641
1-phenyl-2-[2-(2-sulfanylphenyl)pyridin-1-ium-1-yl]ethanone
CID 139730978
2-(2-methylpyridin-1-ium-1-yl)-1-phenylethanone iodide
CID 14438048
2-(2-benzoylpyridin-1-ium-1-yl)-1-phenylethanone
CID 11417680
1-phenacylquinolin-1-ium-6-carboxylic acid
CID 139741398
9H-fluorene;propanoic acid
CID 67831567
1-phenacylpyridin-1-ium-2-carboxamide
CID 26612065
2-[2-(bromomethyl)pyridin-1-ium-1-yl]-1-phenylethanone
CID 139731698
ethane;9H-fluorene;propanoic acid
CID 90836645
2-(2-methoxypyridin-1-ium-1-yl)-1-phenylethanone
CID 5137291

Frequently Asked Questions

What is the IUPAC name of 2-(9H-indeno[2,1-b]pyridin-1-ium-1-yl)-1-phenylethanone?
The IUPAC name of 2-(9H-indeno[2,1-b]pyridin-1-ium-1-yl)-1-phenylethanone (CID 12578832) is 2-(9H-indeno[2,1-b]pyridin-1-ium-1-yl)-1-phenylethanone.
What is the SMILES notation for 2-(9H-indeno[2,1-b]pyridin-1-ium-1-yl)-1-phenylethanone?
The canonical SMILES for 2-(9H-indeno[2,1-b]pyridin-1-ium-1-yl)-1-phenylethanone is O=C(C[n+]1cccc2c1Cc1ccccc1-2)c1ccccc1.
What is the InChIKey of 2-(9H-indeno[2,1-b]pyridin-1-ium-1-yl)-1-phenylethanone?
The InChIKey is JNZVSTMXIGMJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16NO/c22-20(15-7-2-1-3-8-15)14-21-12-6-11-18-17-10-5-4-9-16(17)13-19(18)21/h1-12H,13-14H2/q+1.
What are the key properties of 2-(9H-indeno[2,1-b]pyridin-1-ium-1-yl)-1-phenylethanone?
2-(9H-indeno[2,1-b]pyridin-1-ium-1-yl)-1-phenylethanone has a molecular weight of 286.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-indeno[2,1-b]pyridin-1-ium-1-yl)-1-phenylethanone is sourced from PubChem (CID 12578832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).