tert-butyl N-[[(4Z,5E)-4-ethylidene-5-prop-2-enylidenefuran-2-yl]methyl]carbamate

C15H21NO3 — CID 144770845

IUPACtert-butyl N-[[(4Z,5E)-4-ethylidene-5-prop-2-enylidenefuran-2-yl]methyl]carbamate
SMILESC=C/C=c1/oc(CNC(=O)OC(C)(C)C)c/c1=C/C
InChIInChI=1S/C15H21NO3/c1-6-8-13-11(7-2)9-12(18-13)10-16-14(17)19-15(3,4)5/h6-9H,1,10H2,2-5H3,(H,16,17)/b11-7-,13-8+
InChIKeyXVNIUUUYHFOABQ-JKNYEHFOSA-N
MW263.34 g/mol
LogP2.07
Rot. Bonds3

About tert-butyl N-[[(4Z,5E)-4-ethylidene-5-prop-2-enylidenefuran-2-yl]methyl]carbamate

tert-butyl N-[[(4Z,5E)-4-ethylidene-5-prop-2-enylidenefuran-2-yl]methyl]carbamate (PubChem CID 144770845) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl N-[[(4Z,5E)-4-ethylidene-5-prop-2-enylidenefuran-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(4Z,5E)-4-ethylidene-5-prop-2-enylidenefuran-2-yl]methyl]carbamate
PubChem CID144770845
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nametert-butyl N-[[(4Z,5E)-4-ethylidene-5-prop-2-enylidenefuran-2-yl]methyl]carbamate
SMILESC=C/C=c1/oc(CNC(=O)OC(C)(C)C)c/c1=C/C
InChIInChI=1S/C15H21NO3/c1-6-8-13-11(7-2)9-12(18-13)10-16-14(17)19-15(3,4)5/h6-9H,1,10H2,2-5H3,(H,16,17)/b11-7-,13-8+
InChIKeyXVNIUUUYHFOABQ-JKNYEHFOSA-N
XLogP2.07
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.07
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,5E)-4-ethylidene-5-prop-2-enylidenefuran-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(4Z,5E)-4-ethylidene-5-prop-2-enylidenefuran-2-yl]methyl]carbamate (CID 144770845) is tert-butyl N-[[(4Z,5E)-4-ethylidene-5-prop-2-enylidenefuran-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(4Z,5E)-4-ethylidene-5-prop-2-enylidenefuran-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(4Z,5E)-4-ethylidene-5-prop-2-enylidenefuran-2-yl]methyl]carbamate is C=C/C=c1/oc(CNC(=O)OC(C)(C)C)c/c1=C/C.
What is the InChIKey of tert-butyl N-[[(4Z,5E)-4-ethylidene-5-prop-2-enylidenefuran-2-yl]methyl]carbamate?
The InChIKey is XVNIUUUYHFOABQ-JKNYEHFOSA-N. The full InChI is InChI=1S/C15H21NO3/c1-6-8-13-11(7-2)9-12(18-13)10-16-14(17)19-15(3,4)5/h6-9H,1,10H2,2-5H3,(H,16,17)/b11-7-,13-8+.
What are the key properties of tert-butyl N-[[(4Z,5E)-4-ethylidene-5-prop-2-enylidenefuran-2-yl]methyl]carbamate?
tert-butyl N-[[(4Z,5E)-4-ethylidene-5-prop-2-enylidenefuran-2-yl]methyl]carbamate has a molecular weight of 263.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(4Z,5E)-4-ethylidene-5-prop-2-enylidenefuran-2-yl]methyl]carbamate is sourced from PubChem (CID 144770845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).