tert-butyl N-[(E)-3-iodoprop-2-enyl]carbamate

C8H14INO2 — CID 15681858

IUPACtert-butyl N-[(E)-3-iodoprop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C=C/I
InChIInChI=1S/C8H14INO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-5H,6H2,1-3H3,(H,10,11)/b5-4+
InChIKeyIFNBBPWEPRKMCP-SNAWJCMRSA-N
MW283.11 g/mol
LogP2.46
Rot. Bonds2

About tert-butyl N-[(E)-3-iodoprop-2-enyl]carbamate

tert-butyl N-[(E)-3-iodoprop-2-enyl]carbamate (PubChem CID 15681858) has the molecular formula C8H14INO2 and a molecular weight of 283.11 g/mol. Its IUPAC name is tert-butyl N-[(E)-3-iodoprop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-3-iodoprop-2-enyl]carbamate
PubChem CID15681858
Molecular FormulaC8H14INO2
Molecular Weight283.11 g/mol
Exact Mass283.01
IUPAC Nametert-butyl N-[(E)-3-iodoprop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C=C/I
InChIInChI=1S/C8H14INO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-5H,6H2,1-3H3,(H,10,11)/b5-4+
InChIKeyIFNBBPWEPRKMCP-SNAWJCMRSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-3-iodoprop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-3-iodoprop-2-enyl]carbamate (CID 15681858) is tert-butyl N-[(E)-3-iodoprop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-3-iodoprop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-3-iodoprop-2-enyl]carbamate is CC(C)(C)OC(=O)NC/C=C/I.
What is the InChIKey of tert-butyl N-[(E)-3-iodoprop-2-enyl]carbamate?
The InChIKey is IFNBBPWEPRKMCP-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H14INO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-5H,6H2,1-3H3,(H,10,11)/b5-4+.
What are the key properties of tert-butyl N-[(E)-3-iodoprop-2-enyl]carbamate?
tert-butyl N-[(E)-3-iodoprop-2-enyl]carbamate has a molecular weight of 283.11 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-3-iodoprop-2-enyl]carbamate is sourced from PubChem (CID 15681858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).