tert-butyl N-methyl-N-[2-(2-methylidenebut-3-enoxy)ethyl]carbamate

C13H23NO3 — CID 129288891

IUPACtert-butyl N-methyl-N-[2-(2-methylidenebut-3-enoxy)ethyl]carbamate
SMILESC=CC(=C)COCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO3/c1-7-11(2)10-16-9-8-14(6)12(15)17-13(3,4)5/h7H,1-2,8-10H2,3-6H3
InChIKeyKAOAQODMVNSXNY-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.61
Rot. Bonds6

About tert-butyl N-methyl-N-[2-(2-methylidenebut-3-enoxy)ethyl]carbamate

tert-butyl N-methyl-N-[2-(2-methylidenebut-3-enoxy)ethyl]carbamate (PubChem CID 129288891) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-(2-methylidenebut-3-enoxy)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-(2-methylidenebut-3-enoxy)ethyl]carbamate
PubChem CID129288891
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl N-methyl-N-[2-(2-methylidenebut-3-enoxy)ethyl]carbamate
SMILESC=CC(=C)COCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO3/c1-7-11(2)10-16-9-8-14(6)12(15)17-13(3,4)5/h7H,1-2,8-10H2,3-6H3
InChIKeyKAOAQODMVNSXNY-UHFFFAOYSA-N
XLogP2.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-(2-methylidenebut-3-enoxy)ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-(2-methylidenebut-3-enoxy)ethyl]carbamate (CID 129288891) is tert-butyl N-methyl-N-[2-(2-methylidenebut-3-enoxy)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-(2-methylidenebut-3-enoxy)ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-(2-methylidenebut-3-enoxy)ethyl]carbamate is C=CC(=C)COCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-(2-methylidenebut-3-enoxy)ethyl]carbamate?
The InChIKey is KAOAQODMVNSXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-7-11(2)10-16-9-8-14(6)12(15)17-13(3,4)5/h7H,1-2,8-10H2,3-6H3.
What are the key properties of tert-butyl N-methyl-N-[2-(2-methylidenebut-3-enoxy)ethyl]carbamate?
tert-butyl N-methyl-N-[2-(2-methylidenebut-3-enoxy)ethyl]carbamate has a molecular weight of 241.33 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-(2-methylidenebut-3-enoxy)ethyl]carbamate is sourced from PubChem (CID 129288891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).