phenyl-(2-prop-2-enyl-1H-indol-3-yl)methanone;pyridine

C23H20N2O — CID 174512047

IUPACphenyl-(2-prop-2-enyl-1H-indol-3-yl)methanone;pyridine
SMILESC=CCc1[nH]c2ccccc2c1C(=O)c1ccccc1.c1ccncc1
InChIInChI=1S/C18H15NO.C5H5N/c1-2-8-16-17(14-11-6-7-12-15(14)19-16)18(20)13-9-4-3-5-10-13;1-2-4-6-5-3-1/h2-7,9-12,19H,1,8H2;1-5H
InChIKeyZBTMMJSHNVPXHH-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.21
Rot. Bonds4

About phenyl-(2-prop-2-enyl-1H-indol-3-yl)methanone;pyridine

phenyl-(2-prop-2-enyl-1H-indol-3-yl)methanone;pyridine (PubChem CID 174512047) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is phenyl-(2-prop-2-enyl-1H-indol-3-yl)methanone;pyridine.

Molecular Properties

Compound Namephenyl-(2-prop-2-enyl-1H-indol-3-yl)methanone;pyridine
PubChem CID174512047
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Namephenyl-(2-prop-2-enyl-1H-indol-3-yl)methanone;pyridine
SMILESC=CCc1[nH]c2ccccc2c1C(=O)c1ccccc1.c1ccncc1
InChIInChI=1S/C18H15NO.C5H5N/c1-2-8-16-17(14-11-6-7-12-15(14)19-16)18(20)13-9-4-3-5-10-13;1-2-4-6-5-3-1/h2-7,9-12,19H,1,8H2;1-5H
InChIKeyZBTMMJSHNVPXHH-UHFFFAOYSA-N
XLogP5.21
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl-(2-prop-2-enyl-1H-indol-3-yl)methanone;pyridine?
The IUPAC name of phenyl-(2-prop-2-enyl-1H-indol-3-yl)methanone;pyridine (CID 174512047) is phenyl-(2-prop-2-enyl-1H-indol-3-yl)methanone;pyridine.
What is the SMILES notation for phenyl-(2-prop-2-enyl-1H-indol-3-yl)methanone;pyridine?
The canonical SMILES for phenyl-(2-prop-2-enyl-1H-indol-3-yl)methanone;pyridine is C=CCc1[nH]c2ccccc2c1C(=O)c1ccccc1.c1ccncc1.
What is the InChIKey of phenyl-(2-prop-2-enyl-1H-indol-3-yl)methanone;pyridine?
The InChIKey is ZBTMMJSHNVPXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO.C5H5N/c1-2-8-16-17(14-11-6-7-12-15(14)19-16)18(20)13-9-4-3-5-10-13;1-2-4-6-5-3-1/h2-7,9-12,19H,1,8H2;1-5H.
What are the key properties of phenyl-(2-prop-2-enyl-1H-indol-3-yl)methanone;pyridine?
phenyl-(2-prop-2-enyl-1H-indol-3-yl)methanone;pyridine has a molecular weight of 340.43 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-prop-2-enyl-1H-indol-3-yl)methanone;pyridine is sourced from PubChem (CID 174512047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).