tert-butyl N-(3-methylbut-3-en-2-yl)carbamate

C10H19NO2 — CID 10726189

IUPACtert-butyl N-(3-methylbut-3-en-2-yl)carbamate
SMILESC=C(C)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-7(2)8(3)11-9(12)13-10(4,5)6/h8H,1H2,2-6H3,(H,11,12)
InChIKeyHIBSPHXYBKKLRS-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.48
Rot. Bonds2

About tert-butyl N-(3-methylbut-3-en-2-yl)carbamate

tert-butyl N-(3-methylbut-3-en-2-yl)carbamate (PubChem CID 10726189) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is tert-butyl N-(3-methylbut-3-en-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-methylbut-3-en-2-yl)carbamate
PubChem CID10726189
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nametert-butyl N-(3-methylbut-3-en-2-yl)carbamate
SMILESC=C(C)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-7(2)8(3)11-9(12)13-10(4,5)6/h8H,1H2,2-6H3,(H,11,12)
InChIKeyHIBSPHXYBKKLRS-UHFFFAOYSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-methylbut-3-en-2-yl)carbamate?
The IUPAC name of tert-butyl N-(3-methylbut-3-en-2-yl)carbamate (CID 10726189) is tert-butyl N-(3-methylbut-3-en-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-methylbut-3-en-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-methylbut-3-en-2-yl)carbamate is C=C(C)C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-methylbut-3-en-2-yl)carbamate?
The InChIKey is HIBSPHXYBKKLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)8(3)11-9(12)13-10(4,5)6/h8H,1H2,2-6H3,(H,11,12).
What are the key properties of tert-butyl N-(3-methylbut-3-en-2-yl)carbamate?
tert-butyl N-(3-methylbut-3-en-2-yl)carbamate has a molecular weight of 185.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-methylbut-3-en-2-yl)carbamate is sourced from PubChem (CID 10726189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).