tert-butyl N-[[(4Z)-4-ethylidene-5-methylidenefuran-2-yl]methyl]carbamate

C13H19NO3 — CID 130187724

IUPACtert-butyl N-[[(4Z)-4-ethylidene-5-methylidenefuran-2-yl]methyl]carbamate
SMILESC=c1oc(CNC(=O)OC(C)(C)C)c/c1=C/C
InChIInChI=1S/C13H19NO3/c1-6-10-7-11(16-9(10)2)8-14-12(15)17-13(3,4)5/h6-7H,2,8H2,1,3-5H3,(H,14,15)/b10-6-
InChIKeyQWNVXMDISYZKCY-POHAHGRESA-N
MW237.30 g/mol
LogP1.51
Rot. Bonds2

About tert-butyl N-[[(4Z)-4-ethylidene-5-methylidenefuran-2-yl]methyl]carbamate

tert-butyl N-[[(4Z)-4-ethylidene-5-methylidenefuran-2-yl]methyl]carbamate (PubChem CID 130187724) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-[[(4Z)-4-ethylidene-5-methylidenefuran-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(4Z)-4-ethylidene-5-methylidenefuran-2-yl]methyl]carbamate
PubChem CID130187724
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nametert-butyl N-[[(4Z)-4-ethylidene-5-methylidenefuran-2-yl]methyl]carbamate
SMILESC=c1oc(CNC(=O)OC(C)(C)C)c/c1=C/C
InChIInChI=1S/C13H19NO3/c1-6-10-7-11(16-9(10)2)8-14-12(15)17-13(3,4)5/h6-7H,2,8H2,1,3-5H3,(H,14,15)/b10-6-
InChIKeyQWNVXMDISYZKCY-POHAHGRESA-N
XLogP1.51
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(4Z)-4-ethylidene-5-methylidenefuran-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(4Z)-4-ethylidene-5-methylidenefuran-2-yl]methyl]carbamate (CID 130187724) is tert-butyl N-[[(4Z)-4-ethylidene-5-methylidenefuran-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(4Z)-4-ethylidene-5-methylidenefuran-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(4Z)-4-ethylidene-5-methylidenefuran-2-yl]methyl]carbamate is C=c1oc(CNC(=O)OC(C)(C)C)c/c1=C/C.
What is the InChIKey of tert-butyl N-[[(4Z)-4-ethylidene-5-methylidenefuran-2-yl]methyl]carbamate?
The InChIKey is QWNVXMDISYZKCY-POHAHGRESA-N. The full InChI is InChI=1S/C13H19NO3/c1-6-10-7-11(16-9(10)2)8-14-12(15)17-13(3,4)5/h6-7H,2,8H2,1,3-5H3,(H,14,15)/b10-6-.
What are the key properties of tert-butyl N-[[(4Z)-4-ethylidene-5-methylidenefuran-2-yl]methyl]carbamate?
tert-butyl N-[[(4Z)-4-ethylidene-5-methylidenefuran-2-yl]methyl]carbamate has a molecular weight of 237.30 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(4Z)-4-ethylidene-5-methylidenefuran-2-yl]methyl]carbamate is sourced from PubChem (CID 130187724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).