tert-butyl N-[(E)-pent-2-en-4-ynyl]carbamate

C10H15NO2 — CID 86615750

IUPACtert-butyl N-[(E)-pent-2-en-4-ynyl]carbamate
SMILESC#C/C=C/CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H15NO2/c1-5-6-7-8-11-9(12)13-10(2,3)4/h1,6-7H,8H2,2-4H3,(H,11,12)/b7-6+
InChIKeyFULJVXOLQBZZSE-VOTSOKGWSA-N
MW181.23 g/mol
LogP1.70
Rot. Bonds2

About tert-butyl N-[(E)-pent-2-en-4-ynyl]carbamate

tert-butyl N-[(E)-pent-2-en-4-ynyl]carbamate (PubChem CID 86615750) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is tert-butyl N-[(E)-pent-2-en-4-ynyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-pent-2-en-4-ynyl]carbamate
PubChem CID86615750
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nametert-butyl N-[(E)-pent-2-en-4-ynyl]carbamate
SMILESC#C/C=C/CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H15NO2/c1-5-6-7-8-11-9(12)13-10(2,3)4/h1,6-7H,8H2,2-4H3,(H,11,12)/b7-6+
InChIKeyFULJVXOLQBZZSE-VOTSOKGWSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-pent-2-en-4-ynyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-pent-2-en-4-ynyl]carbamate (CID 86615750) is tert-butyl N-[(E)-pent-2-en-4-ynyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-pent-2-en-4-ynyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-pent-2-en-4-ynyl]carbamate is C#C/C=C/CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E)-pent-2-en-4-ynyl]carbamate?
The InChIKey is FULJVXOLQBZZSE-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H15NO2/c1-5-6-7-8-11-9(12)13-10(2,3)4/h1,6-7H,8H2,2-4H3,(H,11,12)/b7-6+.
What are the key properties of tert-butyl N-[(E)-pent-2-en-4-ynyl]carbamate?
tert-butyl N-[(E)-pent-2-en-4-ynyl]carbamate has a molecular weight of 181.23 g/mol, XLogP of 1.70, 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)-pent-2-en-4-ynyl]carbamate is sourced from PubChem (CID 86615750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).