1-[[4-(1-oxophenalen-2-yl)phenyl]methyl]pyridin-2-one

C25H17NO2 — CID 155513867

IUPAC1-[[4-(1-oxophenalen-2-yl)phenyl]methyl]pyridin-2-one
SMILESO=C1C(c2ccc(Cn3ccccc3=O)cc2)=Cc2cccc3cccc1c23
InChIInChI=1S/C25H17NO2/c27-23-9-1-2-14-26(23)16-17-10-12-18(13-11-17)22-15-20-7-3-5-19-6-4-8-21(24(19)20)25(22)28/h1-15H,16H2
InChIKeyHVQXZUPXKOZRQX-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.79
Rot. Bonds3

About 1-[[4-(1-oxophenalen-2-yl)phenyl]methyl]pyridin-2-one

1-[[4-(1-oxophenalen-2-yl)phenyl]methyl]pyridin-2-one (PubChem CID 155513867) has the molecular formula C25H17NO2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-[[4-(1-oxophenalen-2-yl)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[4-(1-oxophenalen-2-yl)phenyl]methyl]pyridin-2-one
PubChem CID155513867
Molecular FormulaC25H17NO2
Molecular Weight363.42 g/mol
Exact Mass363.13
IUPAC Name1-[[4-(1-oxophenalen-2-yl)phenyl]methyl]pyridin-2-one
SMILESO=C1C(c2ccc(Cn3ccccc3=O)cc2)=Cc2cccc3cccc1c23
InChIInChI=1S/C25H17NO2/c27-23-9-1-2-14-26(23)16-17-10-12-18(13-11-17)22-15-20-7-3-5-19-6-4-8-21(24(19)20)25(22)28/h1-15H,16H2
InChIKeyHVQXZUPXKOZRQX-UHFFFAOYSA-N
XLogP4.79
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1-oxophenalen-2-yl)phenyl]methyl]pyridin-2-one?
The IUPAC name of 1-[[4-(1-oxophenalen-2-yl)phenyl]methyl]pyridin-2-one (CID 155513867) is 1-[[4-(1-oxophenalen-2-yl)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[4-(1-oxophenalen-2-yl)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[4-(1-oxophenalen-2-yl)phenyl]methyl]pyridin-2-one is O=C1C(c2ccc(Cn3ccccc3=O)cc2)=Cc2cccc3cccc1c23.
What is the InChIKey of 1-[[4-(1-oxophenalen-2-yl)phenyl]methyl]pyridin-2-one?
The InChIKey is HVQXZUPXKOZRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO2/c27-23-9-1-2-14-26(23)16-17-10-12-18(13-11-17)22-15-20-7-3-5-19-6-4-8-21(24(19)20)25(22)28/h1-15H,16H2.
What are the key properties of 1-[[4-(1-oxophenalen-2-yl)phenyl]methyl]pyridin-2-one?
1-[[4-(1-oxophenalen-2-yl)phenyl]methyl]pyridin-2-one has a molecular weight of 363.42 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1-oxophenalen-2-yl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 155513867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).