tert-butyl 4-stannyl-3,6-dihydro-2H-pyridine-1-carboxylate

C10H19NO2Sn — CID 174476603

IUPACtert-butyl 4-stannyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C([SnH3])CC1
InChIInChI=1S/C10H16NO2.Sn.3H/c1-10(2,3)13-9(12)11-7-5-4-6-8-11;;;;/h5H,6-8H2,1-3H3;;;;
InChIKeyPNWQKMGEKSEWJR-UHFFFAOYSA-N
MW303.98 g/mol
LogP0.88
Rot. Bonds

About tert-butyl 4-stannyl-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-stannyl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 174476603) has the molecular formula C10H19NO2Sn and a molecular weight of 303.98 g/mol. Its IUPAC name is tert-butyl 4-stannyl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-stannyl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID174476603
Molecular FormulaC10H19NO2Sn
Molecular Weight303.98 g/mol
Exact Mass305.04
IUPAC Nametert-butyl 4-stannyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C([SnH3])CC1
InChIInChI=1S/C10H16NO2.Sn.3H/c1-10(2,3)13-9(12)11-7-5-4-6-8-11;;;;/h5H,6-8H2,1-3H3;;;;
InChIKeyPNWQKMGEKSEWJR-UHFFFAOYSA-N
XLogP0.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.98
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl 4-stannyl-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

tert-butyl 4-dimethylphosphoryl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 154727855
tert-butyl 4-(1-aminoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 105484057
tert-butyl 4-(1-methylsulfanylethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 129128688
tert-butyl 4-[amino(fluoro)methyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 105488112
tert-butyl 4-methylsulfonyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58374576
tert-butyl 4-(2-sulfanylethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 117205631
tert-butyl 4-oxopiperidine-1-carboxylate;methane
CID 156835039
tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;ethane
CID 144594549
tert-butyl 4-(1-chloro-2-oxopropyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 91579742
tert-butyl 4-[1-(methylamino)ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 117205983
tert-butyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 53415310
tert-butyl 4-(1-chloro-2-oxoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 91386295

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-stannyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-stannyl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 174476603) is tert-butyl 4-stannyl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-stannyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-stannyl-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC=C([SnH3])CC1.
What is the InChIKey of tert-butyl 4-stannyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is PNWQKMGEKSEWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO2.Sn.3H/c1-10(2,3)13-9(12)11-7-5-4-6-8-11;;;;/h5H,6-8H2,1-3H3;;;;.
What are the key properties of tert-butyl 4-stannyl-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-stannyl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 303.98 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-stannyl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 174476603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).