butyl N-[2-(2-methylprop-2-enoxy)ethyl]carbamate

C11H21NO3 — CID 89150943

IUPACbutyl N-[2-(2-methylprop-2-enoxy)ethyl]carbamate
SMILESC=C(C)COCCNC(=O)OCCCC
InChIInChI=1S/C11H21NO3/c1-4-5-7-15-11(13)12-6-8-14-9-10(2)3/h2,4-9H2,1,3H3,(H,12,13)
InChIKeyNSURZPDXURYMBN-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.11
Rot. Bonds8

About butyl N-[2-(2-methylprop-2-enoxy)ethyl]carbamate

butyl N-[2-(2-methylprop-2-enoxy)ethyl]carbamate (PubChem CID 89150943) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is butyl N-[2-(2-methylprop-2-enoxy)ethyl]carbamate.

Molecular Properties

Compound Namebutyl N-[2-(2-methylprop-2-enoxy)ethyl]carbamate
PubChem CID89150943
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namebutyl N-[2-(2-methylprop-2-enoxy)ethyl]carbamate
SMILESC=C(C)COCCNC(=O)OCCCC
InChIInChI=1S/C11H21NO3/c1-4-5-7-15-11(13)12-6-8-14-9-10(2)3/h2,4-9H2,1,3H3,(H,12,13)
InChIKeyNSURZPDXURYMBN-UHFFFAOYSA-N
XLogP2.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.11
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 butyl N-[2-(2-methylprop-2-enoxy)ethyl]carbamate?
The IUPAC name of butyl N-[2-(2-methylprop-2-enoxy)ethyl]carbamate (CID 89150943) is butyl N-[2-(2-methylprop-2-enoxy)ethyl]carbamate.
What is the SMILES notation for butyl N-[2-(2-methylprop-2-enoxy)ethyl]carbamate?
The canonical SMILES for butyl N-[2-(2-methylprop-2-enoxy)ethyl]carbamate is C=C(C)COCCNC(=O)OCCCC.
What is the InChIKey of butyl N-[2-(2-methylprop-2-enoxy)ethyl]carbamate?
The InChIKey is NSURZPDXURYMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-5-7-15-11(13)12-6-8-14-9-10(2)3/h2,4-9H2,1,3H3,(H,12,13).
What are the key properties of butyl N-[2-(2-methylprop-2-enoxy)ethyl]carbamate?
butyl N-[2-(2-methylprop-2-enoxy)ethyl]carbamate has a molecular weight of 215.29 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[2-(2-methylprop-2-enoxy)ethyl]carbamate is sourced from PubChem (CID 89150943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).