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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Related Compounds

tert-butyl N-[2-ethyl-2-[(5-ethylfuran-2-yl)methylamino]butyl]carbamate
CID 107252008
tert-butyl N-[3-(3-amino-6-fluoro-2-pyridinyl)prop-2-enyl]carbamate
CID 169467128
N-[3-[5-(hydroxymethyl)furan-2-yl]prop-2-enyl]acetamide
CID 169466848
methyl 3-(5-ethylfuran-2-yl)prop-2-enoate
CID 54231207
tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
CID 102440441
tert-butyl N-[3-(4-amino-3-chlorophenyl)prop-2-enyl]carbamate
CID 169467176
tert-butyl N-[3-(6-amino-2,3-difluorophenyl)prop-2-enyl]carbamate
CID 169467550
tert-butyl N-[3-(3-amino-6-methoxy-2-pyridinyl)prop-2-enyl]carbamate
CID 169467480
tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467097
(E)-3-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]prop-2-enoic acid
CID 169468034
tert-butyl N-[3-(5-hydroxypyrimidin-2-yl)prop-2-enyl]carbamate
CID 169466944
tert-butyl N-[3-(2-methylpyrazol-3-yl)prop-2-enyl]carbamate
CID 169468518

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).