tert-butyl N-[[(4Z)-5-methylidene-4-propylidenefuran-2-yl]methyl]carbamate

C14H21NO3 — CID 148508959

IUPACtert-butyl N-[[(4Z)-5-methylidene-4-propylidenefuran-2-yl]methyl]carbamate
SMILESC=c1oc(CNC(=O)OC(C)(C)C)c/c1=C/CC
InChIInChI=1S/C14H21NO3/c1-6-7-11-8-12(17-10(11)2)9-15-13(16)18-14(3,4)5/h7-8H,2,6,9H2,1,3-5H3,(H,15,16)/b11-7-
InChIKeyMMCPLQMODLJCLD-XFFZJAGNSA-N
MW251.33 g/mol
LogP1.91
Rot. Bonds3

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

tert-butyl N-[[(4Z)-5-methylidene-4-propylidenefuran-2-yl]methyl]carbamate (PubChem CID 148508959) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl N-[[(4Z)-5-methylidene-4-propylidenefuran-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(4Z)-5-methylidene-4-propylidenefuran-2-yl]methyl]carbamate
PubChem CID148508959
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nametert-butyl N-[[(4Z)-5-methylidene-4-propylidenefuran-2-yl]methyl]carbamate
SMILESC=c1oc(CNC(=O)OC(C)(C)C)c/c1=C/CC
InChIInChI=1S/C14H21NO3/c1-6-7-11-8-12(17-10(11)2)9-15-13(16)18-14(3,4)5/h7-8H,2,6,9H2,1,3-5H3,(H,15,16)/b11-7-
InChIKeyMMCPLQMODLJCLD-XFFZJAGNSA-N
XLogP1.91
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.91
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)-5-methylidene-4-propylidenefuran-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(4Z)-5-methylidene-4-propylidenefuran-2-yl]methyl]carbamate (CID 148508959) is tert-butyl N-[[(4Z)-5-methylidene-4-propylidenefuran-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(4Z)-5-methylidene-4-propylidenefuran-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(4Z)-5-methylidene-4-propylidenefuran-2-yl]methyl]carbamate is C=c1oc(CNC(=O)OC(C)(C)C)c/c1=C/CC.
What is the InChIKey of tert-butyl N-[[(4Z)-5-methylidene-4-propylidenefuran-2-yl]methyl]carbamate?
The InChIKey is MMCPLQMODLJCLD-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H21NO3/c1-6-7-11-8-12(17-10(11)2)9-15-13(16)18-14(3,4)5/h7-8H,2,6,9H2,1,3-5H3,(H,15,16)/b11-7-.
What are the key properties of tert-butyl N-[[(4Z)-5-methylidene-4-propylidenefuran-2-yl]methyl]carbamate?
tert-butyl N-[[(4Z)-5-methylidene-4-propylidenefuran-2-yl]methyl]carbamate has a molecular weight of 251.33 g/mol, XLogP of 1.91, 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)-5-methylidene-4-propylidenefuran-2-yl]methyl]carbamate is sourced from PubChem (CID 148508959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).