tert-butyl N-[(2E)-2-ethoxyiminoethyl]carbamate

C9H18N2O3 — CID 90292898

IUPACtert-butyl N-[(2E)-2-ethoxyiminoethyl]carbamate
SMILESCCO/N=C/CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H18N2O3/c1-5-13-11-7-6-10-8(12)14-9(2,3)4/h7H,5-6H2,1-4H3,(H,10,12)/b11-7+
InChIKeyLAHHDLJQAQUETI-YRNVUSSQSA-N
MW202.25 g/mol
LogP1.53
Rot. Bonds4

About tert-butyl N-[(2E)-2-ethoxyiminoethyl]carbamate

tert-butyl N-[(2E)-2-ethoxyiminoethyl]carbamate (PubChem CID 90292898) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is tert-butyl N-[(2E)-2-ethoxyiminoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2E)-2-ethoxyiminoethyl]carbamate
PubChem CID90292898
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nametert-butyl N-[(2E)-2-ethoxyiminoethyl]carbamate
SMILESCCO/N=C/CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H18N2O3/c1-5-13-11-7-6-10-8(12)14-9(2,3)4/h7H,5-6H2,1-4H3,(H,10,12)/b11-7+
InChIKeyLAHHDLJQAQUETI-YRNVUSSQSA-N
XLogP1.53
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
tert-butyl N-(3-bromoprop-2-enyl)carbamate
CID 173240519
methyl (E)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
CID 14539281
tert-butyl N-(3-ethoxypropyl)carbamate
CID 63787963
tert-butyl N-[(E)-4-oxobut-2-enyl]carbamate
CID 131235306
tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 18947920
tert-butyl N-penta-2,4-dienylcarbamate
CID 54438753
2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoic acid
CID 162625001
tert-butyl N-(3-trimethylsilylprop-2-enyl)carbamate
CID 85157761
2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoic acid
CID 154272806
tert-butyl N-(bromomethyl)carbamate
CID 20614913
tert-butyl N-(3-fluoro-4-hydroxybut-2-enyl)carbamate
CID 71437553

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2E)-2-ethoxyiminoethyl]carbamate?
The IUPAC name of tert-butyl N-[(2E)-2-ethoxyiminoethyl]carbamate (CID 90292898) is tert-butyl N-[(2E)-2-ethoxyiminoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2E)-2-ethoxyiminoethyl]carbamate?
The canonical SMILES for tert-butyl N-[(2E)-2-ethoxyiminoethyl]carbamate is CCO/N=C/CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2E)-2-ethoxyiminoethyl]carbamate?
The InChIKey is LAHHDLJQAQUETI-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-5-13-11-7-6-10-8(12)14-9(2,3)4/h7H,5-6H2,1-4H3,(H,10,12)/b11-7+.
What are the key properties of tert-butyl N-[(2E)-2-ethoxyiminoethyl]carbamate?
tert-butyl N-[(2E)-2-ethoxyiminoethyl]carbamate has a molecular weight of 202.25 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2E)-2-ethoxyiminoethyl]carbamate is sourced from PubChem (CID 90292898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).