4-[(E)-2-phenylethenyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one

C25H26N2O2 — CID 11689582

IUPAC4-[(E)-2-phenylethenyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
SMILESO=c1cc(/C=C/c2ccccc2)ccn1-c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C25H26N2O2/c28-25-20-22(9-8-21-6-2-1-3-7-21)14-17-27(25)23-10-12-24(13-11-23)29-19-18-26-15-4-5-16-26/h1-3,6-14,17,20H,4-5,15-16,18-19H2/b9-8+
InChIKeyYTXGXAIGXXDHHK-CMDGGOBGSA-N
MW386.50 g/mol
LogP4.48
Rot. Bonds7

About 4-[(E)-2-phenylethenyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one

4-[(E)-2-phenylethenyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one (PubChem CID 11689582) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-[(E)-2-phenylethenyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(E)-2-phenylethenyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
PubChem CID11689582
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name4-[(E)-2-phenylethenyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
SMILESO=c1cc(/C=C/c2ccccc2)ccn1-c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C25H26N2O2/c28-25-20-22(9-8-21-6-2-1-3-7-21)14-17-27(25)23-10-12-24(13-11-23)29-19-18-26-15-4-5-16-26/h1-3,6-14,17,20H,4-5,15-16,18-19H2/b9-8+
InChIKeyYTXGXAIGXXDHHK-CMDGGOBGSA-N
XLogP4.48
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-phenylethenyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The IUPAC name of 4-[(E)-2-phenylethenyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one (CID 11689582) is 4-[(E)-2-phenylethenyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 4-[(E)-2-phenylethenyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The canonical SMILES for 4-[(E)-2-phenylethenyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one is O=c1cc(/C=C/c2ccccc2)ccn1-c1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of 4-[(E)-2-phenylethenyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The InChIKey is YTXGXAIGXXDHHK-CMDGGOBGSA-N. The full InChI is InChI=1S/C25H26N2O2/c28-25-20-22(9-8-21-6-2-1-3-7-21)14-17-27(25)23-10-12-24(13-11-23)29-19-18-26-15-4-5-16-26/h1-3,6-14,17,20H,4-5,15-16,18-19H2/b9-8+.
What are the key properties of 4-[(E)-2-phenylethenyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
4-[(E)-2-phenylethenyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one has a molecular weight of 386.50 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-phenylethenyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 11689582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).