3-[(4-methyl-2-pyridinyl)methylidene]-2-benzofuran-1-one

C15H11NO2 — CID 85442187

IUPAC3-[(4-methyl-2-pyridinyl)methylidene]-2-benzofuran-1-one
SMILESCc1ccnc(C=C2OC(=O)c3ccccc32)c1
InChIInChI=1S/C15H11NO2/c1-10-6-7-16-11(8-10)9-14-12-4-2-3-5-13(12)15(17)18-14/h2-9H,1H3
InChIKeyBMSAHFHCTFPAPU-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.06
Rot. Bonds1

About 3-[(4-methyl-2-pyridinyl)methylidene]-2-benzofuran-1-one

3-[(4-methyl-2-pyridinyl)methylidene]-2-benzofuran-1-one (PubChem CID 85442187) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-[(4-methyl-2-pyridinyl)methylidene]-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[(4-methyl-2-pyridinyl)methylidene]-2-benzofuran-1-one
PubChem CID85442187
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name3-[(4-methyl-2-pyridinyl)methylidene]-2-benzofuran-1-one
SMILESCc1ccnc(C=C2OC(=O)c3ccccc32)c1
InChIInChI=1S/C15H11NO2/c1-10-6-7-16-11(8-10)9-14-12-4-2-3-5-13(12)15(17)18-14/h2-9H,1H3
InChIKeyBMSAHFHCTFPAPU-UHFFFAOYSA-N
XLogP3.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methyl-4-pyridinyl)methylidene]-2-benzofuran-1-one
CID 85442188
(3Z)-3-[(3,5-difluorophenyl)methylidene]-2-benzofuran-1-one
CID 15892031
(3Z)-3-[(3,4-dichlorophenyl)methylidene]-5-methyl-2-benzofuran-1-one
CID 15959103
3-[(4-tert-butylphenyl)methylidene]-2-benzofuran-1-one
CID 156772308
3-(bromomethylidene)-2-benzofuran-1-one
CID 74390240
2,3,5,6-tetrakis[2-(4-methyl-2-pyridinyl)ethenyl]pyrazine
CID 139611350
3-(2,2-dimethylpropylidene)-2-benzofuran-1-one
CID 85401188
(3Z)-3-[(2-bromophenyl)methylidene]-2-benzofuran-1-one
CID 6508933
CID 145477099
CID 145477099
(3E)-3-[(3-amino-4-fluorophenyl)methylidene]-2-benzofuran-1-one
CID 18444356
3-[(4-propoxyphenyl)methylidene]-2-benzofuran-1-one
CID 154372983
bis(2-benzofuran-1,3-dione);ethane
CID 143680396

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-2-pyridinyl)methylidene]-2-benzofuran-1-one?
The IUPAC name of 3-[(4-methyl-2-pyridinyl)methylidene]-2-benzofuran-1-one (CID 85442187) is 3-[(4-methyl-2-pyridinyl)methylidene]-2-benzofuran-1-one.
What is the SMILES notation for 3-[(4-methyl-2-pyridinyl)methylidene]-2-benzofuran-1-one?
The canonical SMILES for 3-[(4-methyl-2-pyridinyl)methylidene]-2-benzofuran-1-one is Cc1ccnc(C=C2OC(=O)c3ccccc32)c1.
What is the InChIKey of 3-[(4-methyl-2-pyridinyl)methylidene]-2-benzofuran-1-one?
The InChIKey is BMSAHFHCTFPAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c1-10-6-7-16-11(8-10)9-14-12-4-2-3-5-13(12)15(17)18-14/h2-9H,1H3.
What are the key properties of 3-[(4-methyl-2-pyridinyl)methylidene]-2-benzofuran-1-one?
3-[(4-methyl-2-pyridinyl)methylidene]-2-benzofuran-1-one has a molecular weight of 237.26 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-2-pyridinyl)methylidene]-2-benzofuran-1-one is sourced from PubChem (CID 85442187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).