(3Z)-2-phenyl-3-(pyridin-2-ylmethylidene)isoindol-1-one

C20H14N2O — CID 102347738

IUPAC(3Z)-2-phenyl-3-(pyridin-2-ylmethylidene)isoindol-1-one
SMILESO=C1c2ccccc2/C(=C/c2ccccn2)N1c1ccccc1
InChIInChI=1S/C20H14N2O/c23-20-18-12-5-4-11-17(18)19(14-15-8-6-7-13-21-15)22(20)16-9-2-1-3-10-16/h1-14H/b19-14-
InChIKeyKJYZHZDMRFJAME-RGEXLXHISA-N
MW298.35 g/mol
LogP4.24
Rot. Bonds2

About (3Z)-2-phenyl-3-(pyridin-2-ylmethylidene)isoindol-1-one

(3Z)-2-phenyl-3-(pyridin-2-ylmethylidene)isoindol-1-one (PubChem CID 102347738) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is (3Z)-2-phenyl-3-(pyridin-2-ylmethylidene)isoindol-1-one.

Molecular Properties

Compound Name(3Z)-2-phenyl-3-(pyridin-2-ylmethylidene)isoindol-1-one
PubChem CID102347738
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Name(3Z)-2-phenyl-3-(pyridin-2-ylmethylidene)isoindol-1-one
SMILESO=C1c2ccccc2/C(=C/c2ccccn2)N1c1ccccc1
InChIInChI=1S/C20H14N2O/c23-20-18-12-5-4-11-17(18)19(14-15-8-6-7-13-21-15)22(20)16-9-2-1-3-10-16/h1-14H/b19-14-
InChIKeyKJYZHZDMRFJAME-RGEXLXHISA-N
XLogP4.24
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-phenyl-3-(pyridin-2-ylmethylidene)isoindol-1-one?
The IUPAC name of (3Z)-2-phenyl-3-(pyridin-2-ylmethylidene)isoindol-1-one (CID 102347738) is (3Z)-2-phenyl-3-(pyridin-2-ylmethylidene)isoindol-1-one.
What is the SMILES notation for (3Z)-2-phenyl-3-(pyridin-2-ylmethylidene)isoindol-1-one?
The canonical SMILES for (3Z)-2-phenyl-3-(pyridin-2-ylmethylidene)isoindol-1-one is O=C1c2ccccc2/C(=C/c2ccccn2)N1c1ccccc1.
What is the InChIKey of (3Z)-2-phenyl-3-(pyridin-2-ylmethylidene)isoindol-1-one?
The InChIKey is KJYZHZDMRFJAME-RGEXLXHISA-N. The full InChI is InChI=1S/C20H14N2O/c23-20-18-12-5-4-11-17(18)19(14-15-8-6-7-13-21-15)22(20)16-9-2-1-3-10-16/h1-14H/b19-14-.
What are the key properties of (3Z)-2-phenyl-3-(pyridin-2-ylmethylidene)isoindol-1-one?
(3Z)-2-phenyl-3-(pyridin-2-ylmethylidene)isoindol-1-one has a molecular weight of 298.35 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-phenyl-3-(pyridin-2-ylmethylidene)isoindol-1-one is sourced from PubChem (CID 102347738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).