tert-butyl N-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate

C12H22N2O4 — CID 134890002

IUPACtert-butyl N-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate
SMILESCC(C)(C)OC(=O)N/C=C/NC(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O4/c1-11(2,3)17-9(15)13-7-8-14-10(16)18-12(4,5)6/h7-8H,1-6H3,(H,13,15)(H,14,16)/b8-7+
InChIKeyXSSFACKQPNISBT-BQYQJAHWSA-N
MW258.32 g/mol
LogP2.51
Rot. Bonds2

About tert-butyl N-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate

tert-butyl N-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate (PubChem CID 134890002) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is tert-butyl N-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate
PubChem CID134890002
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Nametert-butyl N-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate
SMILESCC(C)(C)OC(=O)N/C=C/NC(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O4/c1-11(2,3)17-9(15)13-7-8-14-10(16)18-12(4,5)6/h7-8H,1-6H3,(H,13,15)(H,14,16)/b8-7+
InChIKeyXSSFACKQPNISBT-BQYQJAHWSA-N
XLogP2.51
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-ethenylcarbamate
CID 251740
cis-n,n'-Dicarbethoxy-1,2-diaminoethene
CID 2751289
(E)-tert-Butyl prop-1-en-1-ylcarbamate
CID 11423724
(Z)-tert-Butyl prop-1-en-1-ylcarbamate
CID 14333820
Carbamic acid, (2-methyl-1-propenyl)-, 1,1-dimethylethyl ester (9CI)
CID 14738325
1,1-Dimethylethyl N-(1E)-1,3-butadien-1-ylcarbamate
CID 19371457
tert-butyl N-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate
CID 59837873
tert-butyl N-prop-1-enylcarbamate
CID 71434977
Ditert-butyl pyrazine-1,4-dicarboxylate
CID 102520380
N,N'-bis-boc-N,N'-divinylhydrazine
CID 129827922
tert-butyl N-ethenyl-N-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]carbamate
CID 21588689
ethyl N-[2-(ethoxycarbonylamino)ethenyl]carbamate
CID 3429923

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate (CID 134890002) is tert-butyl N-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate is CC(C)(C)OC(=O)N/C=C/NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate?
The InChIKey is XSSFACKQPNISBT-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-11(2,3)17-9(15)13-7-8-14-10(16)18-12(4,5)6/h7-8H,1-6H3,(H,13,15)(H,14,16)/b8-7+.
What are the key properties of tert-butyl N-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate?
tert-butyl N-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate has a molecular weight of 258.32 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate is sourced from PubChem (CID 134890002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).