tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-3-en-2-yl]carbamate

C15H27NO4 — CID 10469183

IUPACtert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-3-en-2-yl]carbamate
SMILESC/C=C/C(C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO4/c1-9-10-11(2)16(12(17)19-14(3,4)5)13(18)20-15(6,7)8/h9-11H,1-8H3/b10-9+
InChIKeyYIFKNPZQGMJJQD-MDZDMXLPSA-N
MW285.38 g/mol
LogP4.12
Rot. Bonds2

About tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-3-en-2-yl]carbamate

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-3-en-2-yl]carbamate (PubChem CID 10469183) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-3-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-3-en-2-yl]carbamate
PubChem CID10469183
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-3-en-2-yl]carbamate
SMILESC/C=C/C(C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO4/c1-9-10-11(2)16(12(17)19-14(3,4)5)13(18)20-15(6,7)8/h9-11H,1-8H3/b10-9+
InChIKeyYIFKNPZQGMJJQD-MDZDMXLPSA-N
XLogP4.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-3-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-3-en-2-yl]carbamate (CID 10469183) is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-3-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-3-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-3-en-2-yl]carbamate is C/C=C/C(C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-3-en-2-yl]carbamate?
The InChIKey is YIFKNPZQGMJJQD-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H27NO4/c1-9-10-11(2)16(12(17)19-14(3,4)5)13(18)20-15(6,7)8/h9-11H,1-8H3/b10-9+.
What are the key properties of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-3-en-2-yl]carbamate?
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-3-en-2-yl]carbamate has a molecular weight of 285.38 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-3-en-2-yl]carbamate is sourced from PubChem (CID 10469183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).