1-acetyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2H-indol-3-one

C21H20N2O2 — CID 20934808

IUPAC1-acetyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2H-indol-3-one
SMILESCC(=O)N1c2ccccc2C(=O)C1N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H20N2O2/c1-15(24)23-19-10-6-5-9-18(19)20(25)21(23)22-13-11-17(12-14-22)16-7-3-2-4-8-16/h2-11,21H,12-14H2,1H3
InChIKeyFDOFLSIQZNFTIJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.35
Rot. Bonds2

About 1-acetyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2H-indol-3-one

1-acetyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2H-indol-3-one (PubChem CID 20934808) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-acetyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2H-indol-3-one.

Molecular Properties

Compound Name1-acetyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2H-indol-3-one
PubChem CID20934808
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name1-acetyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2H-indol-3-one
SMILESCC(=O)N1c2ccccc2C(=O)C1N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H20N2O2/c1-15(24)23-19-10-6-5-9-18(19)20(25)21(23)22-13-11-17(12-14-22)16-7-3-2-4-8-16/h2-11,21H,12-14H2,1H3
InChIKeyFDOFLSIQZNFTIJ-UHFFFAOYSA-N
XLogP3.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2H-indol-3-one?
The IUPAC name of 1-acetyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2H-indol-3-one (CID 20934808) is 1-acetyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2H-indol-3-one.
What is the SMILES notation for 1-acetyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2H-indol-3-one?
The canonical SMILES for 1-acetyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2H-indol-3-one is CC(=O)N1c2ccccc2C(=O)C1N1CC=C(c2ccccc2)CC1.
What is the InChIKey of 1-acetyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2H-indol-3-one?
The InChIKey is FDOFLSIQZNFTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-15(24)23-19-10-6-5-9-18(19)20(25)21(23)22-13-11-17(12-14-22)16-7-3-2-4-8-16/h2-11,21H,12-14H2,1H3.
What are the key properties of 1-acetyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2H-indol-3-one?
1-acetyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2H-indol-3-one has a molecular weight of 332.40 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2H-indol-3-one is sourced from PubChem (CID 20934808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).