tert-butyl N-[3-(5-ethylfuran-2-yl)prop-2-enyl]carbamate

C14H21NO3 — CID 169468895

IUPACtert-butyl N-[3-(5-ethylfuran-2-yl)prop-2-enyl]carbamate
SMILESCCc1ccc(C=CCNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C14H21NO3/c1-5-11-8-9-12(17-11)7-6-10-15-13(16)18-14(2,3)4/h6-9H,5,10H2,1-4H3,(H,15,16)
InChIKeyPVSNWHNVQRLHOP-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.38
Rot. Bonds4

About tert-butyl N-[3-(5-ethylfuran-2-yl)prop-2-enyl]carbamate

tert-butyl N-[3-(5-ethylfuran-2-yl)prop-2-enyl]carbamate (PubChem CID 169468895) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl N-[3-(5-ethylfuran-2-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(5-ethylfuran-2-yl)prop-2-enyl]carbamate
PubChem CID169468895
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nametert-butyl N-[3-(5-ethylfuran-2-yl)prop-2-enyl]carbamate
SMILESCCc1ccc(C=CCNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C14H21NO3/c1-5-11-8-9-12(17-11)7-6-10-15-13(16)18-14(2,3)4/h6-9H,5,10H2,1-4H3,(H,15,16)
InChIKeyPVSNWHNVQRLHOP-UHFFFAOYSA-N
XLogP3.38
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(5-ethylfuran-2-yl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(5-ethylfuran-2-yl)prop-2-enyl]carbamate (CID 169468895) is tert-butyl N-[3-(5-ethylfuran-2-yl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(5-ethylfuran-2-yl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(5-ethylfuran-2-yl)prop-2-enyl]carbamate is CCc1ccc(C=CCNC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[3-(5-ethylfuran-2-yl)prop-2-enyl]carbamate?
The InChIKey is PVSNWHNVQRLHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-11-8-9-12(17-11)7-6-10-15-13(16)18-14(2,3)4/h6-9H,5,10H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-[3-(5-ethylfuran-2-yl)prop-2-enyl]carbamate?
tert-butyl N-[3-(5-ethylfuran-2-yl)prop-2-enyl]carbamate has a molecular weight of 251.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(5-ethylfuran-2-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169468895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).