tert-butyl N-ethylidenecarbamate

C7H13NO2 — CID 56612991

IUPACtert-butyl N-ethylidenecarbamate
SMILESCC=NC(=O)OC(C)(C)C
InChIInChI=1S/C7H13NO2/c1-5-8-6(9)10-7(2,3)4/h5H,1-4H3
InChIKeyULVYVTAMAVPQAS-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.01
Rot. Bonds

About tert-butyl N-ethylidenecarbamate

tert-butyl N-ethylidenecarbamate (PubChem CID 56612991) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is tert-butyl N-ethylidenecarbamate.

Molecular Properties

Compound Nametert-butyl N-ethylidenecarbamate
PubChem CID56612991
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nametert-butyl N-ethylidenecarbamate
SMILESCC=NC(=O)OC(C)(C)C
InChIInChI=1S/C7H13NO2/c1-5-8-6(9)10-7(2,3)4/h5H,1-4H3
InChIKeyULVYVTAMAVPQAS-UHFFFAOYSA-N
XLogP2.01
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethylidenecarbamate?
The IUPAC name of tert-butyl N-ethylidenecarbamate (CID 56612991) is tert-butyl N-ethylidenecarbamate.
What is the SMILES notation for tert-butyl N-ethylidenecarbamate?
The canonical SMILES for tert-butyl N-ethylidenecarbamate is CC=NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethylidenecarbamate?
The InChIKey is ULVYVTAMAVPQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5-8-6(9)10-7(2,3)4/h5H,1-4H3.
What are the key properties of tert-butyl N-ethylidenecarbamate?
tert-butyl N-ethylidenecarbamate has a molecular weight of 143.19 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethylidenecarbamate is sourced from PubChem (CID 56612991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).