tert-butyl N-(2-but-3-en-2-yloxyethyl)carbamate

C11H21NO3 — CID 123594581

IUPACtert-butyl N-(2-but-3-en-2-yloxyethyl)carbamate
SMILESC=CC(C)OCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-6-9(2)14-8-7-12-10(13)15-11(3,4)5/h6,9H,1,7-8H2,2-5H3,(H,12,13)
InChIKeySMUYNQCBSIQRPB-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.10
Rot. Bonds5

About tert-butyl N-(2-but-3-en-2-yloxyethyl)carbamate

tert-butyl N-(2-but-3-en-2-yloxyethyl)carbamate (PubChem CID 123594581) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-(2-but-3-en-2-yloxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-but-3-en-2-yloxyethyl)carbamate
PubChem CID123594581
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-(2-but-3-en-2-yloxyethyl)carbamate
SMILESC=CC(C)OCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-6-9(2)14-8-7-12-10(13)15-11(3,4)5/h6,9H,1,7-8H2,2-5H3,(H,12,13)
InChIKeySMUYNQCBSIQRPB-UHFFFAOYSA-N
XLogP2.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-but-3-en-2-yloxyethyl)carbamate?
The IUPAC name of tert-butyl N-(2-but-3-en-2-yloxyethyl)carbamate (CID 123594581) is tert-butyl N-(2-but-3-en-2-yloxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-but-3-en-2-yloxyethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-but-3-en-2-yloxyethyl)carbamate is C=CC(C)OCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-but-3-en-2-yloxyethyl)carbamate?
The InChIKey is SMUYNQCBSIQRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-6-9(2)14-8-7-12-10(13)15-11(3,4)5/h6,9H,1,7-8H2,2-5H3,(H,12,13).
What are the key properties of tert-butyl N-(2-but-3-en-2-yloxyethyl)carbamate?
tert-butyl N-(2-but-3-en-2-yloxyethyl)carbamate has a molecular weight of 215.29 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-but-3-en-2-yloxyethyl)carbamate is sourced from PubChem (CID 123594581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).