tert-butyl N-[1-(furan-2-yl)-2-oxoethyl]carbamate

C11H15NO4 — CID 130003969

IUPACtert-butyl N-[1-(furan-2-yl)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(C=O)c1ccco1
InChIInChI=1S/C11H15NO4/c1-11(2,3)16-10(14)12-8(7-13)9-5-4-6-15-9/h4-8H,1-3H3,(H,12,14)
InChIKeyLKRKMSDLBFAJMK-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.04
Rot. Bonds3

About tert-butyl N-[1-(furan-2-yl)-2-oxoethyl]carbamate

tert-butyl N-[1-(furan-2-yl)-2-oxoethyl]carbamate (PubChem CID 130003969) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is tert-butyl N-[1-(furan-2-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(furan-2-yl)-2-oxoethyl]carbamate
PubChem CID130003969
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Nametert-butyl N-[1-(furan-2-yl)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(C=O)c1ccco1
InChIInChI=1S/C11H15NO4/c1-11(2,3)16-10(14)12-8(7-13)9-5-4-6-15-9/h4-8H,1-3H3,(H,12,14)
InChIKeyLKRKMSDLBFAJMK-UHFFFAOYSA-N
XLogP2.04
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate
CID 170565124
tert-butyl N-[1-(2-hydroxyphenyl)-2-oxoethyl]carbamate
CID 84729025
tert-butyl N-[(1S,2R)-3,3-difluoro-1-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 23236676
tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate
CID 50941092
dimethyl 2-fluoro-2-[(S)-furan-2-yl-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanedioate
CID 154713410
tert-butyl N-[(1R,2R)-1-(furan-2-yl)-2-(methoxymethoxy)but-3-enyl]carbamate
CID 101373628
tert-butyl (2R,3S)-3-(furan-2-yl)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-nitropropanoate
CID 102521028
tert-butyl N-[(1R,2S)-1-[benzyl(hydroxy)amino]-1-(furan-2-yl)propan-2-yl]carbamate
CID 102069202
tert-butyl N-(2-methyl-3-oxo-1-phenylpropyl)carbamate
CID 24788666
tert-butyl N-[1-(3,4-dichlorophenyl)-2-oxoethyl]carbamate
CID 147574745
tert-butyl N-[furan-2-yl-[(3R)-pyrrolidin-3-yl]methyl]carbamate
CID 20741396
(2S)-3-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2734631

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(furan-2-yl)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(furan-2-yl)-2-oxoethyl]carbamate (CID 130003969) is tert-butyl N-[1-(furan-2-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(furan-2-yl)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(furan-2-yl)-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NC(C=O)c1ccco1.
What is the InChIKey of tert-butyl N-[1-(furan-2-yl)-2-oxoethyl]carbamate?
The InChIKey is LKRKMSDLBFAJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-11(2,3)16-10(14)12-8(7-13)9-5-4-6-15-9/h4-8H,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-[1-(furan-2-yl)-2-oxoethyl]carbamate?
tert-butyl N-[1-(furan-2-yl)-2-oxoethyl]carbamate has a molecular weight of 225.24 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(furan-2-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 130003969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).