1-(3-methyl-1-benzofuran-2-yl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine

C22H21NO — CID 67717931

IUPAC1-(3-methyl-1-benzofuran-2-yl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine
SMILESCc1c(N2CC=C(C=Cc3ccccc3)CC2)oc2ccccc12
InChIInChI=1S/C22H21NO/c1-17-20-9-5-6-10-21(20)24-22(17)23-15-13-19(14-16-23)12-11-18-7-3-2-4-8-18/h2-13H,14-16H2,1H3
InChIKeyAOEHEPQCELQZQT-UHFFFAOYSA-N
MW315.42 g/mol
LogP5.59
Rot. Bonds3

About 1-(3-methyl-1-benzofuran-2-yl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine

1-(3-methyl-1-benzofuran-2-yl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine (PubChem CID 67717931) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(3-methyl-1-benzofuran-2-yl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(3-methyl-1-benzofuran-2-yl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine
PubChem CID67717931
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name1-(3-methyl-1-benzofuran-2-yl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine
SMILESCc1c(N2CC=C(C=Cc3ccccc3)CC2)oc2ccccc12
InChIInChI=1S/C22H21NO/c1-17-20-9-5-6-10-21(20)24-22(17)23-15-13-19(14-16-23)12-11-18-7-3-2-4-8-18/h2-13H,14-16H2,1H3
InChIKeyAOEHEPQCELQZQT-UHFFFAOYSA-N
XLogP5.59
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-3-ylmethyl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine
CID 67710346
1-benzyl-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine
CID 54506331
5-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1H-pyrrolo[2,3-b]pyridine
CID 67615201
1-[(4-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine
CID 67583405
3-methyl-2-(2-phenylethenyl)chromen-4-one
CID 85448922
1-[(3-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine
CID 15818890
1-benzyl-4-[2-(4-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 54324538
2,3-dimethyl-1-benzofuran;ethane
CID 142047308
4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(1-benzofuran-3-ylmethyl)-3,6-dihydro-2H-pyridine
CID 22914752
1-benzyl-4-[2-(3-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 67583435
4-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]chromen-2-one
CID 102021642
1-[1-[(3-methyl-1-benzofuran-2-yl)methyl]azetidin-3-yl]piperidine
CID 77083392

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-benzofuran-2-yl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(3-methyl-1-benzofuran-2-yl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine (CID 67717931) is 1-(3-methyl-1-benzofuran-2-yl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(3-methyl-1-benzofuran-2-yl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(3-methyl-1-benzofuran-2-yl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine is Cc1c(N2CC=C(C=Cc3ccccc3)CC2)oc2ccccc12.
What is the InChIKey of 1-(3-methyl-1-benzofuran-2-yl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is AOEHEPQCELQZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c1-17-20-9-5-6-10-21(20)24-22(17)23-15-13-19(14-16-23)12-11-18-7-3-2-4-8-18/h2-13H,14-16H2,1H3.
What are the key properties of 1-(3-methyl-1-benzofuran-2-yl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine?
1-(3-methyl-1-benzofuran-2-yl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 315.42 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-benzofuran-2-yl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 67717931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).