tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-oxabicyclo[3.1.0]hex-3-en-1-yl)carbamate

C15H23NO5 — CID 123812432

IUPACtert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-oxabicyclo[3.1.0]hex-3-en-1-yl)carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C12CC=CC1O2
InChIInChI=1S/C15H23NO5/c1-13(2,3)20-11(17)16(12(18)21-14(4,5)6)15-9-7-8-10(15)19-15/h7-8,10H,9H2,1-6H3
InChIKeyQZXNDYGVGKHEGN-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.21
Rot. Bonds1

About tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-oxabicyclo[3.1.0]hex-3-en-1-yl)carbamate

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-oxabicyclo[3.1.0]hex-3-en-1-yl)carbamate (PubChem CID 123812432) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-oxabicyclo[3.1.0]hex-3-en-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-oxabicyclo[3.1.0]hex-3-en-1-yl)carbamate
PubChem CID123812432
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-oxabicyclo[3.1.0]hex-3-en-1-yl)carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C12CC=CC1O2
InChIInChI=1S/C15H23NO5/c1-13(2,3)20-11(17)16(12(18)21-14(4,5)6)15-9-7-8-10(15)19-15/h7-8,10H,9H2,1-6H3
InChIKeyQZXNDYGVGKHEGN-UHFFFAOYSA-N
XLogP3.21
TPSA68.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-oxabicyclo[3.1.0]hex-3-en-1-yl)carbamate with MolForge

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Related Compounds

tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate
CID 172587185
tert-butyl (5S,7S)-6-azatricyclo[5.3.0.01,5]deca-3,8-diene-6-carboxylate
CID 86338166
tert-butyl N-(1,2-dihydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 154265911
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(3-oxo-1-bicyclo[3.1.0]hexanyl)carbamate
CID 142224208
tert-butyl N-(2,5-dihydropyrrol-1-yl)-N-methylcarbamate
CID 66881037
tert-butyl N,N-di(cyclobutyl)carbamate
CID 162343429
tert-butyl N-(1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-methylcarbamate
CID 19883290
tert-butyl N-[[(1R,5S,6S)-6-bicyclo[3.1.0]hex-2-enyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 151847511
ditert-butyl aziridine-2,2-dicarboxylate
CID 102235849
tert-butyl N-cyclohex-3-en-1-yl-N-methylcarbamate
CID 66707419
tert-butyl N-[(1R)-cyclohex-3-en-1-yl]-N-methylcarbamate
CID 170643869
tert-butyl N-(1-adamantyl)-N-phenylcarbamate
CID 135063861

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-oxabicyclo[3.1.0]hex-3-en-1-yl)carbamate?
The IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-oxabicyclo[3.1.0]hex-3-en-1-yl)carbamate (CID 123812432) is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-oxabicyclo[3.1.0]hex-3-en-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-oxabicyclo[3.1.0]hex-3-en-1-yl)carbamate?
The canonical SMILES for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-oxabicyclo[3.1.0]hex-3-en-1-yl)carbamate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C12CC=CC1O2.
What is the InChIKey of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-oxabicyclo[3.1.0]hex-3-en-1-yl)carbamate?
The InChIKey is QZXNDYGVGKHEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-13(2,3)20-11(17)16(12(18)21-14(4,5)6)15-9-7-8-10(15)19-15/h7-8,10H,9H2,1-6H3.
What are the key properties of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-oxabicyclo[3.1.0]hex-3-en-1-yl)carbamate?
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-oxabicyclo[3.1.0]hex-3-en-1-yl)carbamate has a molecular weight of 297.35 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-oxabicyclo[3.1.0]hex-3-en-1-yl)carbamate is sourced from PubChem (CID 123812432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).