tert-butyl [(Z)-3-quinolin-3-ylprop-1-enyl] carbonate

C17H19NO3 — CID 69349929

IUPACtert-butyl [(Z)-3-quinolin-3-ylprop-1-enyl] carbonate
SMILESCC(C)(C)OC(=O)O/C=C\Cc1cnc2ccccc2c1
InChIInChI=1S/C17H19NO3/c1-17(2,3)21-16(19)20-10-6-7-13-11-14-8-4-5-9-15(14)18-12-13/h4-6,8-12H,7H2,1-3H3/b10-6-
InChIKeyLZGGRSLYKUSLAI-POHAHGRESA-N
MW285.34 g/mol
LogP4.24
Rot. Bonds3

About tert-butyl [(Z)-3-quinolin-3-ylprop-1-enyl] carbonate

tert-butyl [(Z)-3-quinolin-3-ylprop-1-enyl] carbonate (PubChem CID 69349929) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is tert-butyl [(Z)-3-quinolin-3-ylprop-1-enyl] carbonate.

Molecular Properties

Compound Nametert-butyl [(Z)-3-quinolin-3-ylprop-1-enyl] carbonate
PubChem CID69349929
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Nametert-butyl [(Z)-3-quinolin-3-ylprop-1-enyl] carbonate
SMILESCC(C)(C)OC(=O)O/C=C\Cc1cnc2ccccc2c1
InChIInChI=1S/C17H19NO3/c1-17(2,3)21-16(19)20-10-6-7-13-11-14-8-4-5-9-15(14)18-12-13/h4-6,8-12H,7H2,1-3H3/b10-6-
InChIKeyLZGGRSLYKUSLAI-POHAHGRESA-N
XLogP4.24
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl [(Z)-3-quinolin-3-ylprop-1-enyl] carbonate?
The IUPAC name of tert-butyl [(Z)-3-quinolin-3-ylprop-1-enyl] carbonate (CID 69349929) is tert-butyl [(Z)-3-quinolin-3-ylprop-1-enyl] carbonate.
What is the SMILES notation for tert-butyl [(Z)-3-quinolin-3-ylprop-1-enyl] carbonate?
The canonical SMILES for tert-butyl [(Z)-3-quinolin-3-ylprop-1-enyl] carbonate is CC(C)(C)OC(=O)O/C=C\Cc1cnc2ccccc2c1.
What is the InChIKey of tert-butyl [(Z)-3-quinolin-3-ylprop-1-enyl] carbonate?
The InChIKey is LZGGRSLYKUSLAI-POHAHGRESA-N. The full InChI is InChI=1S/C17H19NO3/c1-17(2,3)21-16(19)20-10-6-7-13-11-14-8-4-5-9-15(14)18-12-13/h4-6,8-12H,7H2,1-3H3/b10-6-.
What are the key properties of tert-butyl [(Z)-3-quinolin-3-ylprop-1-enyl] carbonate?
tert-butyl [(Z)-3-quinolin-3-ylprop-1-enyl] carbonate has a molecular weight of 285.34 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(Z)-3-quinolin-3-ylprop-1-enyl] carbonate is sourced from PubChem (CID 69349929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).