2-(1H-indol-2-yl)-3-pyridin-2-ylprop-1-en-1-one

C16H12N2O — CID 118108344

IUPAC2-(1H-indol-2-yl)-3-pyridin-2-ylprop-1-en-1-one
SMILESO=C=C(Cc1ccccn1)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H12N2O/c19-11-13(9-14-6-3-4-8-17-14)16-10-12-5-1-2-7-15(12)18-16/h1-8,10,18H,9H2
InChIKeyWBDLNJMTXHUOIU-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.02
Rot. Bonds3

About 2-(1H-indol-2-yl)-3-pyridin-2-ylprop-1-en-1-one

2-(1H-indol-2-yl)-3-pyridin-2-ylprop-1-en-1-one (PubChem CID 118108344) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-(1H-indol-2-yl)-3-pyridin-2-ylprop-1-en-1-one.

Molecular Properties

Compound Name2-(1H-indol-2-yl)-3-pyridin-2-ylprop-1-en-1-one
PubChem CID118108344
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name2-(1H-indol-2-yl)-3-pyridin-2-ylprop-1-en-1-one
SMILESO=C=C(Cc1ccccn1)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H12N2O/c19-11-13(9-14-6-3-4-8-17-14)16-10-12-5-1-2-7-15(12)18-16/h1-8,10,18H,9H2
InChIKeyWBDLNJMTXHUOIU-UHFFFAOYSA-N
XLogP3.02
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

pyridin-2-ylmethyl 1H-indole-2-carboxylate
CID 46558412
ethane;1H-indole-2-carboxylic acid
CID 91052830
2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 16589995
N-[2-(1H-indol-2-yl)ethyl]-4-pyridin-2-ylbutanamide
CID 71967911
1H-indole-2-carbothioic S-acid
CID 4713092
N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide
CID 49346434
2-(1H-indole-2-carbonyl)pyridine-3-carboxylic acid
CID 14398692
[5,5-dioxo-8-(pyridin-2-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(1H-indol-2-yl)methanone
CID 131671659
1-(1H-indol-2-ylmethyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110968674
CID 58100929
CID 58100929
CID 131857449
CID 131857449
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-2-yl)-3-pyridin-2-ylprop-1-en-1-one?
The IUPAC name of 2-(1H-indol-2-yl)-3-pyridin-2-ylprop-1-en-1-one (CID 118108344) is 2-(1H-indol-2-yl)-3-pyridin-2-ylprop-1-en-1-one.
What is the SMILES notation for 2-(1H-indol-2-yl)-3-pyridin-2-ylprop-1-en-1-one?
The canonical SMILES for 2-(1H-indol-2-yl)-3-pyridin-2-ylprop-1-en-1-one is O=C=C(Cc1ccccn1)c1cc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-indol-2-yl)-3-pyridin-2-ylprop-1-en-1-one?
The InChIKey is WBDLNJMTXHUOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c19-11-13(9-14-6-3-4-8-17-14)16-10-12-5-1-2-7-15(12)18-16/h1-8,10,18H,9H2.
What are the key properties of 2-(1H-indol-2-yl)-3-pyridin-2-ylprop-1-en-1-one?
2-(1H-indol-2-yl)-3-pyridin-2-ylprop-1-en-1-one has a molecular weight of 248.29 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-2-yl)-3-pyridin-2-ylprop-1-en-1-one is sourced from PubChem (CID 118108344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).