1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]pent-4-en-1-one

C25H26N2O — CID 10525433

IUPAC1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]pent-4-en-1-one
SMILESC=CCCC(=O)n1cc(C2=CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C25H26N2O/c1-2-3-13-25(28)27-19-23(22-11-7-8-12-24(22)27)21-14-16-26(17-15-21)18-20-9-5-4-6-10-20/h2,4-12,14,19H,1,3,13,15-18H2
InChIKeyLRYLWLOZUYHOCN-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.54
Rot. Bonds6

About 1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]pent-4-en-1-one

1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]pent-4-en-1-one (PubChem CID 10525433) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]pent-4-en-1-one.

Molecular Properties

Compound Name1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]pent-4-en-1-one
PubChem CID10525433
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]pent-4-en-1-one
SMILESC=CCCC(=O)n1cc(C2=CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C25H26N2O/c1-2-3-13-25(28)27-19-23(22-11-7-8-12-24(22)27)21-14-16-26(17-15-21)18-20-9-5-4-6-10-20/h2,4-12,14,19H,1,3,13,15-18H2
InChIKeyLRYLWLOZUYHOCN-UHFFFAOYSA-N
XLogP5.54
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]pent-4-en-1-one with MolForge

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Related Compounds

1-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]pent-4-en-1-one
CID 162720614
1-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanone
CID 113086734
1-[3-(2-amino-2-methylpropyl)indol-1-yl]pent-4-en-1-one
CID 162720615
1-benzyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine
CID 59628497
4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)aniline
CID 22499416
1-benzyl-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine
CID 54506331
ethyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carboxylate
CID 66863463
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)cyclohex-2-en-1-one
CID 67129694
1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol
CID 19900296
ethyl 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)acetate
CID 13349686
(3-chlorophenyl)-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113086743
1-benzyl-4-(2-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine
CID 67065996

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]pent-4-en-1-one?
The IUPAC name of 1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]pent-4-en-1-one (CID 10525433) is 1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]pent-4-en-1-one.
What is the SMILES notation for 1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]pent-4-en-1-one?
The canonical SMILES for 1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]pent-4-en-1-one is C=CCCC(=O)n1cc(C2=CCN(Cc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]pent-4-en-1-one?
The InChIKey is LRYLWLOZUYHOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-2-3-13-25(28)27-19-23(22-11-7-8-12-24(22)27)21-14-16-26(17-15-21)18-20-9-5-4-6-10-20/h2,4-12,14,19H,1,3,13,15-18H2.
What are the key properties of 1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]pent-4-en-1-one?
1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]pent-4-en-1-one has a molecular weight of 370.50 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]pent-4-en-1-one is sourced from PubChem (CID 10525433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).