tert-butyl N-propan-2-ylidenecarbamate

C8H15NO2 — CID 57263954

IUPACtert-butyl N-propan-2-ylidenecarbamate
SMILESCC(C)=NC(=O)OC(C)(C)C
InChIInChI=1S/C8H15NO2/c1-6(2)9-7(10)11-8(3,4)5/h1-5H3
InChIKeyGEIUDDXVJAYCIE-UHFFFAOYSA-N
MW157.21 g/mol
LogP2.40
Rot. Bonds

About tert-butyl N-propan-2-ylidenecarbamate

tert-butyl N-propan-2-ylidenecarbamate (PubChem CID 57263954) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is tert-butyl N-propan-2-ylidenecarbamate.

Molecular Properties

Compound Nametert-butyl N-propan-2-ylidenecarbamate
PubChem CID57263954
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nametert-butyl N-propan-2-ylidenecarbamate
SMILESCC(C)=NC(=O)OC(C)(C)C
InChIInChI=1S/C8H15NO2/c1-6(2)9-7(10)11-8(3,4)5/h1-5H3
InChIKeyGEIUDDXVJAYCIE-UHFFFAOYSA-N
XLogP2.40
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl N-propan-2-ylidenecarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-propan-2-ylidenecarbamate?
The IUPAC name of tert-butyl N-propan-2-ylidenecarbamate (CID 57263954) is tert-butyl N-propan-2-ylidenecarbamate.
What is the SMILES notation for tert-butyl N-propan-2-ylidenecarbamate?
The canonical SMILES for tert-butyl N-propan-2-ylidenecarbamate is CC(C)=NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-propan-2-ylidenecarbamate?
The InChIKey is GEIUDDXVJAYCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)9-7(10)11-8(3,4)5/h1-5H3.
What are the key properties of tert-butyl N-propan-2-ylidenecarbamate?
tert-butyl N-propan-2-ylidenecarbamate has a molecular weight of 157.21 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-propan-2-ylidenecarbamate is sourced from PubChem (CID 57263954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).