methyl 6-[2-(furan-3-yl)ethyl]-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate

C16H25NO4Si — CID 11404524

IUPACmethyl 6-[2-(furan-3-yl)ethyl]-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1CCC(O[Si](C)(C)C)=CC1CCc1ccoc1
InChIInChI=1S/C16H25NO4Si/c1-19-16(18)17-9-7-15(21-22(2,3)4)11-14(17)6-5-13-8-10-20-12-13/h8,10-12,14H,5-7,9H2,1-4H3
InChIKeyFMJZNBOCJHPSEJ-UHFFFAOYSA-N
MW323.46 g/mol
LogP3.79
Rot. Bonds5

About methyl 6-[2-(furan-3-yl)ethyl]-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate

methyl 6-[2-(furan-3-yl)ethyl]-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 11404524) has the molecular formula C16H25NO4Si and a molecular weight of 323.46 g/mol. Its IUPAC name is methyl 6-[2-(furan-3-yl)ethyl]-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(furan-3-yl)ethyl]-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID11404524
Molecular FormulaC16H25NO4Si
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC Namemethyl 6-[2-(furan-3-yl)ethyl]-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1CCC(O[Si](C)(C)C)=CC1CCc1ccoc1
InChIInChI=1S/C16H25NO4Si/c1-19-16(18)17-9-7-15(21-22(2,3)4)11-14(17)6-5-13-8-10-20-12-13/h8,10-12,14H,5-7,9H2,1-4H3
InChIKeyFMJZNBOCJHPSEJ-UHFFFAOYSA-N
XLogP3.79
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 6-[2-(furan-3-yl)ethyl]-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-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

[3-[2-(furan-3-yl)ethyl]cyclopenten-1-yl]oxy-trimethylsilane
CID 11184284
N-[2-(furan-3-yl)ethyl]-2-methoxyacetamide
CID 90558235
1-[2-(furan-3-yl)ethyl]-3-(2-methoxyethyl)urea
CID 71798548
3-(furan-3-yl)-1-[(1R)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
CID 99778026
1-cyclopropyl-3-(furan-3-yl)propan-1-one
CID 64504771
1-O-methyl 2-O-(2-methylpropyl) 6-(furan-3-ylmethoxy)-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate
CID 68502366
3-(furan-3-yl)-1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]propan-1-one
CID 128984820
cis-(1R,2R)-2-[2-(furan-3-yl)ethyl]-1-methyl-3-methylidenecyclohexane-1-carboxylic acid
CID 155539245
methyl 5-[2-(furan-3-yl)ethyl]-6-(hydroxymethyl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalene-1-carboxylate
CID 73197781
2-[(2S)-1-[3-(furan-3-yl)propanoyl]pyrrolidin-2-yl]acetic acid
CID 129468857
N'-[2-(dimethylamino)ethyl]-N-[2-(furan-3-yl)ethyl]oxamide
CID 90558523
furan-3-ylmethyl N-methylcarbamate
CID 57025329

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(furan-3-yl)ethyl]-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 6-[2-(furan-3-yl)ethyl]-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate (CID 11404524) is methyl 6-[2-(furan-3-yl)ethyl]-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 6-[2-(furan-3-yl)ethyl]-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 6-[2-(furan-3-yl)ethyl]-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate is COC(=O)N1CCC(O[Si](C)(C)C)=CC1CCc1ccoc1.
What is the InChIKey of methyl 6-[2-(furan-3-yl)ethyl]-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is FMJZNBOCJHPSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4Si/c1-19-16(18)17-9-7-15(21-22(2,3)4)11-14(17)6-5-13-8-10-20-12-13/h8,10-12,14H,5-7,9H2,1-4H3.
What are the key properties of methyl 6-[2-(furan-3-yl)ethyl]-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate?
methyl 6-[2-(furan-3-yl)ethyl]-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 323.46 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(furan-3-yl)ethyl]-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 11404524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).