2-trimethylsilylethyl (4aR,8aR)-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate

C14H28N2O2Si — CID 164554342

IUPAC2-trimethylsilylethyl (4aR,8aR)-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate
SMILESC[Si](C)(C)CCOC(=O)N1CC[C@H]2CCCN[C@H]2C1
InChIInChI=1S/C14H28N2O2Si/c1-19(2,3)10-9-18-14(17)16-8-6-12-5-4-7-15-13(12)11-16/h12-13,15H,4-11H2,1-3H3/t12-,13+/m1/s1
InChIKeyUYHGRPURAXTSMI-OLZOCXBDSA-N
MW284.48 g/mol
LogP2.54
Rot. Bonds3

About 2-trimethylsilylethyl (4aR,8aR)-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate

2-trimethylsilylethyl (4aR,8aR)-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate (PubChem CID 164554342) has the molecular formula C14H28N2O2Si and a molecular weight of 284.48 g/mol. Its IUPAC name is 2-trimethylsilylethyl (4aR,8aR)-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl (4aR,8aR)-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate
PubChem CID164554342
Molecular FormulaC14H28N2O2Si
Molecular Weight284.48 g/mol
Exact Mass284.19
IUPAC Name2-trimethylsilylethyl (4aR,8aR)-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate
SMILESC[Si](C)(C)CCOC(=O)N1CC[C@H]2CCCN[C@H]2C1
InChIInChI=1S/C14H28N2O2Si/c1-19(2,3)10-9-18-14(17)16-8-6-12-5-4-7-15-13(12)11-16/h12-13,15H,4-11H2,1-3H3/t12-,13+/m1/s1
InChIKeyUYHGRPURAXTSMI-OLZOCXBDSA-N
XLogP2.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.48
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl (4aR,8aR)-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate?
The IUPAC name of 2-trimethylsilylethyl (4aR,8aR)-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate (CID 164554342) is 2-trimethylsilylethyl (4aR,8aR)-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl (4aR,8aR)-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl (4aR,8aR)-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate is C[Si](C)(C)CCOC(=O)N1CC[C@H]2CCCN[C@H]2C1.
What is the InChIKey of 2-trimethylsilylethyl (4aR,8aR)-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate?
The InChIKey is UYHGRPURAXTSMI-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H28N2O2Si/c1-19(2,3)10-9-18-14(17)16-8-6-12-5-4-7-15-13(12)11-16/h12-13,15H,4-11H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of 2-trimethylsilylethyl (4aR,8aR)-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate?
2-trimethylsilylethyl (4aR,8aR)-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate has a molecular weight of 284.48 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl (4aR,8aR)-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate is sourced from PubChem (CID 164554342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).