ethyl (4aS,9bR)-6-methyl-8-phenyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine-2-carboxylate

C22H25NO2 — CID 68506355

IUPACethyl (4aS,9bR)-6-methyl-8-phenyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)N1CC[C@@H]2Cc3c(C)cc(-c4ccccc4)cc3[C@@H]2C1
InChIInChI=1S/C22H25NO2/c1-3-25-22(24)23-10-9-17-12-19-15(2)11-18(13-20(19)21(17)14-23)16-7-5-4-6-8-16/h4-8,11,13,17,21H,3,9-10,12,14H2,1-2H3/t17-,21-/m1/s1
InChIKeyVOYWHNYAYIDKDG-DYESRHJHSA-N
MW335.45 g/mol
LogP4.78
Rot. Bonds2

About ethyl (4aS,9bR)-6-methyl-8-phenyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine-2-carboxylate

ethyl (4aS,9bR)-6-methyl-8-phenyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine-2-carboxylate (PubChem CID 68506355) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is ethyl (4aS,9bR)-6-methyl-8-phenyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl (4aS,9bR)-6-methyl-8-phenyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine-2-carboxylate
PubChem CID68506355
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Nameethyl (4aS,9bR)-6-methyl-8-phenyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)N1CC[C@@H]2Cc3c(C)cc(-c4ccccc4)cc3[C@@H]2C1
InChIInChI=1S/C22H25NO2/c1-3-25-22(24)23-10-9-17-12-19-15(2)11-18(13-20(19)21(17)14-23)16-7-5-4-6-8-16/h4-8,11,13,17,21H,3,9-10,12,14H2,1-2H3/t17-,21-/m1/s1
InChIKeyVOYWHNYAYIDKDG-DYESRHJHSA-N
XLogP4.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl (4aS,9bR)-6-methyl-8-phenyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (4aR,9bS)-6-methyl-8-phenyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine-2-carboxylate
CID 86611062
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
1-O-tert-butyl 3-O-ethyl (3R,4S)-4-(4-phenylphenyl)piperidine-1,3-dicarboxylate
CID 68542237
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
ethyl (3R)-3-[(1-benzoylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate
CID 51725856
ethyl 3,4-dihydroxy-4-(3-phenylphenyl)piperidine-1-carboxylate
CID 77310302
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[3-(4-phenylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methylamino]piperidine-1-carboxylate
CID 75511031
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
ethyl 4-tritylpiperidine-1-carboxylate
CID 22911669
ethyl 3-methyl-4-phenylpiperazine-1-carboxylate
CID 110658014
ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 4009402

Frequently Asked Questions

What is the IUPAC name of ethyl (4aS,9bR)-6-methyl-8-phenyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine-2-carboxylate?
The IUPAC name of ethyl (4aS,9bR)-6-methyl-8-phenyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine-2-carboxylate (CID 68506355) is ethyl (4aS,9bR)-6-methyl-8-phenyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl (4aS,9bR)-6-methyl-8-phenyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl (4aS,9bR)-6-methyl-8-phenyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine-2-carboxylate is CCOC(=O)N1CC[C@@H]2Cc3c(C)cc(-c4ccccc4)cc3[C@@H]2C1.
What is the InChIKey of ethyl (4aS,9bR)-6-methyl-8-phenyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine-2-carboxylate?
The InChIKey is VOYWHNYAYIDKDG-DYESRHJHSA-N. The full InChI is InChI=1S/C22H25NO2/c1-3-25-22(24)23-10-9-17-12-19-15(2)11-18(13-20(19)21(17)14-23)16-7-5-4-6-8-16/h4-8,11,13,17,21H,3,9-10,12,14H2,1-2H3/t17-,21-/m1/s1.
What are the key properties of ethyl (4aS,9bR)-6-methyl-8-phenyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine-2-carboxylate?
ethyl (4aS,9bR)-6-methyl-8-phenyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine-2-carboxylate has a molecular weight of 335.45 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4aS,9bR)-6-methyl-8-phenyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 68506355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).