tert-butyl N-(2-methylbut-3-enyl)carbamate

C10H19NO2 — CID 59650911

IUPACtert-butyl N-(2-methylbut-3-enyl)carbamate
SMILESC=CC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-6-8(2)7-11-9(12)13-10(3,4)5/h6,8H,1,7H2,2-5H3,(H,11,12)
InChIKeyLZWRRSKCTAXZSH-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.33
Rot. Bonds3

About tert-butyl N-(2-methylbut-3-enyl)carbamate

tert-butyl N-(2-methylbut-3-enyl)carbamate (PubChem CID 59650911) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is tert-butyl N-(2-methylbut-3-enyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methylbut-3-enyl)carbamate
PubChem CID59650911
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nametert-butyl N-(2-methylbut-3-enyl)carbamate
SMILESC=CC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-6-8(2)7-11-9(12)13-10(3,4)5/h6,8H,1,7H2,2-5H3,(H,11,12)
InChIKeyLZWRRSKCTAXZSH-UHFFFAOYSA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.33
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-(2-methylbut-3-enyl)carbamate?
The IUPAC name of tert-butyl N-(2-methylbut-3-enyl)carbamate (CID 59650911) is tert-butyl N-(2-methylbut-3-enyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methylbut-3-enyl)carbamate?
The canonical SMILES for tert-butyl N-(2-methylbut-3-enyl)carbamate is C=CC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-methylbut-3-enyl)carbamate?
The InChIKey is LZWRRSKCTAXZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6-8(2)7-11-9(12)13-10(3,4)5/h6,8H,1,7H2,2-5H3,(H,11,12).
What are the key properties of tert-butyl N-(2-methylbut-3-enyl)carbamate?
tert-butyl N-(2-methylbut-3-enyl)carbamate has a molecular weight of 185.27 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methylbut-3-enyl)carbamate is sourced from PubChem (CID 59650911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).