2-(2-ethyl-2,3-dihydropyridin-5-yl)-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one

C25H25NO2 — CID 90745796

IUPAC2-(2-ethyl-2,3-dihydropyridin-5-yl)-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one
SMILESCCC1CC=C(c2ccc3c(c2)CCCC(=O)C=C3Oc2ccccc2)C=N1
InChIInChI=1S/C25H25NO2/c1-2-21-13-11-20(17-26-21)18-12-14-24-19(15-18)7-6-8-22(27)16-25(24)28-23-9-4-3-5-10-23/h3-5,9-12,14-17,21H,2,6-8,13H2,1H3
InChIKeyUOLADAJUVADDEM-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.65
Rot. Bonds4

About 2-(2-ethyl-2,3-dihydropyridin-5-yl)-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one

2-(2-ethyl-2,3-dihydropyridin-5-yl)-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one (PubChem CID 90745796) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-(2-ethyl-2,3-dihydropyridin-5-yl)-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one.

Molecular Properties

Compound Name2-(2-ethyl-2,3-dihydropyridin-5-yl)-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one
PubChem CID90745796
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name2-(2-ethyl-2,3-dihydropyridin-5-yl)-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one
SMILESCCC1CC=C(c2ccc3c(c2)CCCC(=O)C=C3Oc2ccccc2)C=N1
InChIInChI=1S/C25H25NO2/c1-2-21-13-11-20(17-26-21)18-12-14-24-19(15-18)7-6-8-22(27)16-25(24)28-23-9-4-3-5-10-23/h3-5,9-12,14-17,21H,2,6-8,13H2,1H3
InChIKeyUOLADAJUVADDEM-UHFFFAOYSA-N
XLogP5.65
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-ethyl-2,3-dihydropyridin-5-yl)-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one with MolForge

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Related Compounds

3-chloro-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one
CID 91239869
3-(3,4-dihydro-2H-azepin-7-yl)-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one
CID 90688171
5-[3-(3-aminophenyl)phenoxy]-9,10-dihydro-8H-benzo[8]annulen-7-one
CID 90797617
5-[3-[4-[3-[4-(3-pyridin-4-ylpropyl)cycloheptyl]propyl]phenyl]phenoxy]-9,10-dihydro-8H-benzo[8]annulen-7-one
CID 90752879
(5E)-5-[3-[6-(azocan-4-yl)-3-pyridinyl]phenoxy]-9,10-dihydro-8H-benzo[8]annulen-7-one
CID 143958104
6-(3-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 169410330
5,13-diphenyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 163494691
4-[4-(4-fluorophenyl)phenoxy]-1H-naphthalen-2-one
CID 143958162
6-(4-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 169410334
5-[4-(1,1-difluoroethoxy)phenoxy]-8,9-dihydrobenzo[7]annulen-7-one
CID 91010644
3-azulen-1-ylcyclohex-2-en-1-one
CID 11368043
6-(4-phenylmethoxyphenoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 101422030

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-2,3-dihydropyridin-5-yl)-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one?
The IUPAC name of 2-(2-ethyl-2,3-dihydropyridin-5-yl)-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one (CID 90745796) is 2-(2-ethyl-2,3-dihydropyridin-5-yl)-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one.
What is the SMILES notation for 2-(2-ethyl-2,3-dihydropyridin-5-yl)-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one?
The canonical SMILES for 2-(2-ethyl-2,3-dihydropyridin-5-yl)-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one is CCC1CC=C(c2ccc3c(c2)CCCC(=O)C=C3Oc2ccccc2)C=N1.
What is the InChIKey of 2-(2-ethyl-2,3-dihydropyridin-5-yl)-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one?
The InChIKey is UOLADAJUVADDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-2-21-13-11-20(17-26-21)18-12-14-24-19(15-18)7-6-8-22(27)16-25(24)28-23-9-4-3-5-10-23/h3-5,9-12,14-17,21H,2,6-8,13H2,1H3.
What are the key properties of 2-(2-ethyl-2,3-dihydropyridin-5-yl)-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one?
2-(2-ethyl-2,3-dihydropyridin-5-yl)-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one has a molecular weight of 371.48 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-2,3-dihydropyridin-5-yl)-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one is sourced from PubChem (CID 90745796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).