3-[(4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2,3-dihydropyrrol-5-yl]pyridine

C18H18N2O2 — CID 15390037

IUPAC3-[(4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2,3-dihydropyrrol-5-yl]pyridine
SMILESCOc1ccc(/C=C2\CCN=C2c2cccnc2)c(OC)c1
InChIInChI=1S/C18H18N2O2/c1-21-16-6-5-13(17(11-16)22-2)10-14-7-9-20-18(14)15-4-3-8-19-12-15/h3-6,8,10-12H,7,9H2,1-2H3/b14-10+
InChIKeyOSZDRQKWTIKEPM-GXDHUFHOSA-N
MW294.35 g/mol
LogP3.38
Rot. Bonds4

About 3-[(4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2,3-dihydropyrrol-5-yl]pyridine

3-[(4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2,3-dihydropyrrol-5-yl]pyridine (PubChem CID 15390037) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[(4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2,3-dihydropyrrol-5-yl]pyridine.

Molecular Properties

Compound Name3-[(4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2,3-dihydropyrrol-5-yl]pyridine
PubChem CID15390037
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-[(4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2,3-dihydropyrrol-5-yl]pyridine
SMILESCOc1ccc(/C=C2\CCN=C2c2cccnc2)c(OC)c1
InChIInChI=1S/C18H18N2O2/c1-21-16-6-5-13(17(11-16)22-2)10-14-7-9-20-18(14)15-4-3-8-19-12-15/h3-6,8,10-12H,7,9H2,1-2H3/b14-10+
InChIKeyOSZDRQKWTIKEPM-GXDHUFHOSA-N
XLogP3.38
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2,3-dihydropyrrol-5-yl]pyridine?
The IUPAC name of 3-[(4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2,3-dihydropyrrol-5-yl]pyridine (CID 15390037) is 3-[(4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2,3-dihydropyrrol-5-yl]pyridine.
What is the SMILES notation for 3-[(4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2,3-dihydropyrrol-5-yl]pyridine?
The canonical SMILES for 3-[(4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2,3-dihydropyrrol-5-yl]pyridine is COc1ccc(/C=C2\CCN=C2c2cccnc2)c(OC)c1.
What is the InChIKey of 3-[(4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2,3-dihydropyrrol-5-yl]pyridine?
The InChIKey is OSZDRQKWTIKEPM-GXDHUFHOSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-21-16-6-5-13(17(11-16)22-2)10-14-7-9-20-18(14)15-4-3-8-19-12-15/h3-6,8,10-12H,7,9H2,1-2H3/b14-10+.
What are the key properties of 3-[(4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2,3-dihydropyrrol-5-yl]pyridine?
3-[(4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2,3-dihydropyrrol-5-yl]pyridine has a molecular weight of 294.35 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2,3-dihydropyrrol-5-yl]pyridine is sourced from PubChem (CID 15390037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).