dimethyl 6-methoxy-1,2,4a,9-tetrahydroindeno[2,1-c]pyridine-4,9a-dicarboxylate

C17H19NO5 — CID 23319389

IUPACdimethyl 6-methoxy-1,2,4a,9-tetrahydroindeno[2,1-c]pyridine-4,9a-dicarboxylate
SMILESCOC(=O)C1=CNCC2(C(=O)OC)Cc3ccc(OC)cc3C12
InChIInChI=1S/C17H19NO5/c1-21-11-5-4-10-7-17(16(20)23-3)9-18-8-13(15(19)22-2)14(17)12(10)6-11/h4-6,8,14,18H,7,9H2,1-3H3
InChIKeyVZADUYKFMZLINV-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.15
Rot. Bonds3

About dimethyl 6-methoxy-1,2,4a,9-tetrahydroindeno[2,1-c]pyridine-4,9a-dicarboxylate

dimethyl 6-methoxy-1,2,4a,9-tetrahydroindeno[2,1-c]pyridine-4,9a-dicarboxylate (PubChem CID 23319389) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is dimethyl 6-methoxy-1,2,4a,9-tetrahydroindeno[2,1-c]pyridine-4,9a-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-methoxy-1,2,4a,9-tetrahydroindeno[2,1-c]pyridine-4,9a-dicarboxylate
PubChem CID23319389
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Namedimethyl 6-methoxy-1,2,4a,9-tetrahydroindeno[2,1-c]pyridine-4,9a-dicarboxylate
SMILESCOC(=O)C1=CNCC2(C(=O)OC)Cc3ccc(OC)cc3C12
InChIInChI=1S/C17H19NO5/c1-21-11-5-4-10-7-17(16(20)23-3)9-18-8-13(15(19)22-2)14(17)12(10)6-11/h4-6,8,14,18H,7,9H2,1-3H3
InChIKeyVZADUYKFMZLINV-UHFFFAOYSA-N
XLogP1.15
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze dimethyl 6-methoxy-1,2,4a,9-tetrahydroindeno[2,1-c]pyridine-4,9a-dicarboxylate 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

6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-ol
CID 10035482
(1R)-6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-ol
CID 132506381
methyl 7-acetyl-4-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylate
CID 134986725
(7S)-4-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylate
CID 7055849
methyl (3aS,8bR)-7-chloro-2-oxo-4,8b-dihydro-3H-indeno[1,2-b]furan-3a-carboxylate
CID 89472088
[(1R)-6-methoxy-2'-oxospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl] acetate
CID 146681991
methyl 5-methoxy-2'-methylspiro[1,2-dihydroindene-3,3'-oxirane]-2'-carboxylate
CID 79368968
methyl 4-hydroxy-7-methoxy-1,2-dihydroisoquinoline-3-carboxylate
CID 159748762
methyl (3aS,8bR)-2-oxo-4,8b-dihydro-3H-indeno[1,2-b]furan-3a-carboxylate
CID 89472289
dimethyl 6-methoxy-1-oxo-4H-isochromene-3,3-dicarboxylate
CID 2752718
methyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate
CID 83910529
methyl 4-[[(1R,2'R)-1,6-dimethoxyspiro[1,3-dihydroindene-2,4'-piperidine]-2'-yl]methyl]benzoate
CID 146681993

Frequently Asked Questions

What is the IUPAC name of dimethyl 6-methoxy-1,2,4a,9-tetrahydroindeno[2,1-c]pyridine-4,9a-dicarboxylate?
The IUPAC name of dimethyl 6-methoxy-1,2,4a,9-tetrahydroindeno[2,1-c]pyridine-4,9a-dicarboxylate (CID 23319389) is dimethyl 6-methoxy-1,2,4a,9-tetrahydroindeno[2,1-c]pyridine-4,9a-dicarboxylate.
What is the SMILES notation for dimethyl 6-methoxy-1,2,4a,9-tetrahydroindeno[2,1-c]pyridine-4,9a-dicarboxylate?
The canonical SMILES for dimethyl 6-methoxy-1,2,4a,9-tetrahydroindeno[2,1-c]pyridine-4,9a-dicarboxylate is COC(=O)C1=CNCC2(C(=O)OC)Cc3ccc(OC)cc3C12.
What is the InChIKey of dimethyl 6-methoxy-1,2,4a,9-tetrahydroindeno[2,1-c]pyridine-4,9a-dicarboxylate?
The InChIKey is VZADUYKFMZLINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-21-11-5-4-10-7-17(16(20)23-3)9-18-8-13(15(19)22-2)14(17)12(10)6-11/h4-6,8,14,18H,7,9H2,1-3H3.
What are the key properties of dimethyl 6-methoxy-1,2,4a,9-tetrahydroindeno[2,1-c]pyridine-4,9a-dicarboxylate?
dimethyl 6-methoxy-1,2,4a,9-tetrahydroindeno[2,1-c]pyridine-4,9a-dicarboxylate has a molecular weight of 317.34 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-methoxy-1,2,4a,9-tetrahydroindeno[2,1-c]pyridine-4,9a-dicarboxylate is sourced from PubChem (CID 23319389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).