tert-butyl N-[(Z)-3-phenylprop-1-enyl]carbamate

C14H19NO2 — CID 11983772

IUPACtert-butyl N-[(Z)-3-phenylprop-1-enyl]carbamate
SMILESCC(C)(C)OC(=O)N/C=C\Cc1ccccc1
InChIInChI=1S/C14H19NO2/c1-14(2,3)17-13(16)15-11-7-10-12-8-5-4-6-9-12/h4-9,11H,10H2,1-3H3,(H,15,16)/b11-7-
InChIKeyXQXGKTVOMAHYOB-XFFZJAGNSA-N
MW233.31 g/mol
LogP3.27
Rot. Bonds3

About tert-butyl N-[(Z)-3-phenylprop-1-enyl]carbamate

tert-butyl N-[(Z)-3-phenylprop-1-enyl]carbamate (PubChem CID 11983772) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is tert-butyl N-[(Z)-3-phenylprop-1-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-3-phenylprop-1-enyl]carbamate
PubChem CID11983772
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nametert-butyl N-[(Z)-3-phenylprop-1-enyl]carbamate
SMILESCC(C)(C)OC(=O)N/C=C\Cc1ccccc1
InChIInChI=1S/C14H19NO2/c1-14(2,3)17-13(16)15-11-7-10-12-8-5-4-6-9-12/h4-9,11H,10H2,1-3H3,(H,15,16)/b11-7-
InChIKeyXQXGKTVOMAHYOB-XFFZJAGNSA-N
XLogP3.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(E)-1-hydroxy-4-phenylbut-2-en-2-yl]carbamate
CID 100950560
tert-butyl N-[2-(2-hydroxyphenyl)ethenyl]carbamate
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tert-butyl N-[(E)-3-indol-1-ylprop-1-enyl]carbamate
CID 132507563
tert-butyl N-(2-phenylethyl)carbamate;ethane
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tert-butyl (E)-2-hydroxy-4-phenylbut-2-enoate
CID 70989975
[(2-methylpropan-2-yl)oxycarbonylamino] 4-phenylbutanoate
CID 121415285
tert-butyl (E)-2-methyl-4-phenylbut-2-enoate
CID 10857330
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(Z,2S)-5-phenylpent-3-en-2-yl]carbamate
CID 11728129
tert-butyl N-[(2S)-4-oxo-1-phenylbutan-2-yl]carbamate
CID 10015626
tert-butyl N-(4-oxo-1-phenylbutan-2-yl)carbamate
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methoxymethylbenzene;2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid
CID 91476409
tert-butyl N-[[(Z)-1-phenylbut-2-en-2-yl]amino]carbamate
CID 21186039

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-3-phenylprop-1-enyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-3-phenylprop-1-enyl]carbamate (CID 11983772) is tert-butyl N-[(Z)-3-phenylprop-1-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-3-phenylprop-1-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-3-phenylprop-1-enyl]carbamate is CC(C)(C)OC(=O)N/C=C\Cc1ccccc1.
What is the InChIKey of tert-butyl N-[(Z)-3-phenylprop-1-enyl]carbamate?
The InChIKey is XQXGKTVOMAHYOB-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2,3)17-13(16)15-11-7-10-12-8-5-4-6-9-12/h4-9,11H,10H2,1-3H3,(H,15,16)/b11-7-.
What are the key properties of tert-butyl N-[(Z)-3-phenylprop-1-enyl]carbamate?
tert-butyl N-[(Z)-3-phenylprop-1-enyl]carbamate has a molecular weight of 233.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-3-phenylprop-1-enyl]carbamate is sourced from PubChem (CID 11983772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).